4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))

C345H521Cl3Fe10N32O32 — CID 162287788

IUPAC4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=C1C(=O)C(c2ccc(N(CCC3CCCC3)CCC3CCCC3)cc2)=C1O.CCCC1=NN(C(C)(C)C)C(=O)C1=C1C(=O)C(c2ccc(N(CC)CC)cc2NC(=O)CC2CCCC2)=C1O.CCCCC1=NN(CC(CC)CCCC)C(=O)C1=C1C(=O)C(c2ccc(N(CC)CC)nc2NC(=O)NC2CCCC2)=C1O.CCCCCCCC(=O)Nc1cc(N(CC)CCC2CCCC2)ccc1C1=C(O)C(=C2C(=O)N(C3CCCCC3)N=C2C(C)C)C1=O.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)(C)C)N=C3CC3CCCC3)C2=O)c(NC(=O)C(C)(C)CC)c1.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)(C)C)N=C3CCC3CCCC3)C2=O)c(NC(=O)C(C)(C)CC)c1.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)c4ccccc4)N=C3C)C2=O)c(NC(=O)CCC2CCCC2)c1.COC1=NN(c2c(C)cc(C)cc2C)C(=O)C1=C1C(=O)C(c2ccc(N(CCC3CCCC3)CC3CCCC3)cc2O)=C1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/C39H56N4O4.C36H43N3O5.C34H36Cl3N3O3.C34H50N6O4.C34H40N4O4.C34H48N4O4.C33H46N4O4.C31H42N4O4.10C5H10.20CH3.10Fe/c1-5-7-8-9-13-20-32(44)40-31-25-29(42(6-2)24-23-27-16-14-15-17-27)21-22-30(31)33-37(45)35(38(33)46)34-36(26(3)4)41-43(39(34)47)28-18-11-10-12-19-28;1-21-17-22(2)32(23(3)18-21)39-36(43)31(35(37-39)44-4)30-33(41)29(34(30)42)27-14-13-26(19-28(27)40)38(20-25-11-7-8-12-25)16-15-24-9-5-6-10-24;1-20-28(34(43)40(38-20)31-26(36)18-24(35)19-27(31)37)30-32(41)29(33(30)42)23-10-12-25(13-11-23)39(16-14-21-6-2-3-7-21)17-15-22-8-4-5-9-22;1-6-11-15-22(8-3)21-40-33(43)28(25(38-40)18-12-7-2)29-30(41)27(31(29)42)24-19-20-26(39(9-4)10-5)36-32(24)37-34(44)35-23-16-13-14-17-23;1-5-37(6-2)25-17-18-26(27(20-25)35-28(39)19-16-23-12-10-11-13-23)30-32(40)31(33(30)41)29-21(3)36-38(34(29)42)22(4)24-14-8-7-9-15-24;1-9-34(7,8)32(42)35-25-20-22(37(10-2)11-3)17-18-23(25)26-29(39)28(30(26)40)27-24(19-16-21-14-12-13-15-21)36-38(31(27)41)33(4,5)6;1-9-33(7,8)31(41)34-23-19-21(36(10-2)11-3)16-17-22(23)25-28(38)27(29(25)39)26-24(18-20-14-12-13-15-20)35-37(30(26)40)32(4,5)6;1-7-12-22-26(30(39)35(33-22)31(4,5)6)27-28(37)25(29(27)38)21-16-15-20(34(8-2)9-3)18-23(21)32-24(36)17-19-13-10-11-14-19;10*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h21-22,25-28,45H,5-20,23-24H2,1-4H3,(H,40,44);13-14,17-19,24-25,40-41H,5-12,15-16,20H2,1-4H3;10-13,18-19,21-22,41H,2-9,14-17H2,1H3;19-20,22-23,41H,6-18,21H2,1-5H3,(H2,35,36,37,44);7-9,14-15,17-18,20,22-23,40H,5-6,10-13,16,19H2,1-4H3,(H,35,39);17-18,20-21,39H,9-16,19H2,1-8H3,(H,35,42);16-17,19-20,38H,9-15,18H2,1-8H3,(H,34,41);15-16,18-19,37H,7-14,17H2,1-6H3,(H,32,36);10*1-5H2;20*1H3;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;20*-1;10*+2
InChIKeyWENOUDZZXDWOFW-UHFFFAOYSA-N
MW6293.96 g/mol
LogP86.41
Rot. Bonds85

About 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))

4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+)) (PubChem CID 162287788) has the molecular formula C345H521Cl3Fe10N32O32 and a molecular weight of 6293.96 g/mol. Its IUPAC name is 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+)).

Molecular Properties

Compound Name4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))
PubChem CID162287788
Molecular FormulaC345H521Cl3Fe10N32O32
Molecular Weight6293.96 g/mol
Exact Mass6289.27
IUPAC Name4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=C1C(=O)C(c2ccc(N(CCC3CCCC3)CCC3CCCC3)cc2)=C1O.CCCC1=NN(C(C)(C)C)C(=O)C1=C1C(=O)C(c2ccc(N(CC)CC)cc2NC(=O)CC2CCCC2)=C1O.CCCCC1=NN(CC(CC)CCCC)C(=O)C1=C1C(=O)C(c2ccc(N(CC)CC)nc2NC(=O)NC2CCCC2)=C1O.CCCCCCCC(=O)Nc1cc(N(CC)CCC2CCCC2)ccc1C1=C(O)C(=C2C(=O)N(C3CCCCC3)N=C2C(C)C)C1=O.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)(C)C)N=C3CC3CCCC3)C2=O)c(NC(=O)C(C)(C)CC)c1.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)(C)C)N=C3CCC3CCCC3)C2=O)c(NC(=O)C(C)(C)CC)c1.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)c4ccccc4)N=C3C)C2=O)c(NC(=O)CCC2CCCC2)c1.COC1=NN(c2c(C)cc(C)cc2C)C(=O)C1=C1C(=O)C(c2ccc(N(CCC3CCCC3)CC3CCCC3)cc2O)=C1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/C39H56N4O4.C36H43N3O5.C34H36Cl3N3O3.C34H50N6O4.C34H40N4O4.C34H48N4O4.C33H46N4O4.C31H42N4O4.10C5H10.20CH3.10Fe/c1-5-7-8-9-13-20-32(44)40-31-25-29(42(6-2)24-23-27-16-14-15-17-27)21-22-30(31)33-37(45)35(38(33)46)34-36(26(3)4)41-43(39(34)47)28-18-11-10-12-19-28;1-21-17-22(2)32(23(3)18-21)39-36(43)31(35(37-39)44-4)30-33(41)29(34(30)42)27-14-13-26(19-28(27)40)38(20-25-11-7-8-12-25)16-15-24-9-5-6-10-24;1-20-28(34(43)40(38-20)31-26(36)18-24(35)19-27(31)37)30-32(41)29(33(30)42)23-10-12-25(13-11-23)39(16-14-21-6-2-3-7-21)17-15-22-8-4-5-9-22;1-6-11-15-22(8-3)21-40-33(43)28(25(38-40)18-12-7-2)29-30(41)27(31(29)42)24-19-20-26(39(9-4)10-5)36-32(24)37-34(44)35-23-16-13-14-17-23;1-5-37(6-2)25-17-18-26(27(20-25)35-28(39)19-16-23-12-10-11-13-23)30-32(40)31(33(30)41)29-21(3)36-38(34(29)42)22(4)24-14-8-7-9-15-24;1-9-34(7,8)32(42)35-25-20-22(37(10-2)11-3)17-18-23(25)26-29(39)28(30(26)40)27-24(19-16-21-14-12-13-15-21)36-38(31(27)41)33(4,5)6;1-9-33(7,8)31(41)34-23-19-21(36(10-2)11-3)16-17-22(23)25-28(38)27(29(25)39)26-24(18-20-14-12-13-15-20)35-37(30(26)40)32(4,5)6;1-7-12-22-26(30(39)35(33-22)31(4,5)6)27-28(37)25(29(27)38)21-16-15-20(34(8-2)9-3)18-23(21)32-24(36)17-19-13-10-11-14-19;10*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h21-22,25-28,45H,5-20,23-24H2,1-4H3,(H,40,44);13-14,17-19,24-25,40-41H,5-12,15-16,20H2,1-4H3;10-13,18-19,21-22,41H,2-9,14-17H2,1H3;19-20,22-23,41H,6-18,21H2,1-5H3,(H2,35,36,37,44);7-9,14-15,17-18,20,22-23,40H,5-6,10-13,16,19H2,1-4H3,(H,35,39);17-18,20-21,39H,9-16,19H2,1-8H3,(H,35,42);16-17,19-20,38H,9-15,18H2,1-8H3,(H,34,41);15-16,18-19,37H,7-14,17H2,1-6H3,(H,32,36);10*1-5H2;20*1H3;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;20*-1;10*+2
InChIKeyWENOUDZZXDWOFW-UHFFFAOYSA-N
XLogP86.41
TPSA814.66 Ų
H-Bond Donors16
H-Bond Acceptors49
Rotatable Bonds85
Heavy Atoms422
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006293.96
LogP ≤ 586.41
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1049

Analyze 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))?
The IUPAC name of 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+)) (CID 162287788) is 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+)).
What is the SMILES notation for 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))?
The canonical SMILES for 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+)) is C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=C1C(=O)C(c2ccc(N(CCC3CCCC3)CCC3CCCC3)cc2)=C1O.CCCC1=NN(C(C)(C)C)C(=O)C1=C1C(=O)C(c2ccc(N(CC)CC)cc2NC(=O)CC2CCCC2)=C1O.CCCCC1=NN(CC(CC)CCCC)C(=O)C1=C1C(=O)C(c2ccc(N(CC)CC)nc2NC(=O)NC2CCCC2)=C1O.CCCCCCCC(=O)Nc1cc(N(CC)CCC2CCCC2)ccc1C1=C(O)C(=C2C(=O)N(C3CCCCC3)N=C2C(C)C)C1=O.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)(C)C)N=C3CC3CCCC3)C2=O)c(NC(=O)C(C)(C)CC)c1.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)(C)C)N=C3CCC3CCCC3)C2=O)c(NC(=O)C(C)(C)CC)c1.CCN(CC)c1ccc(C2=C(O)C(=C3C(=O)N(C(C)c4ccccc4)N=C3C)C2=O)c(NC(=O)CCC2CCCC2)c1.COC1=NN(c2c(C)cc(C)cc2C)C(=O)C1=C1C(=O)C(c2ccc(N(CCC3CCCC3)CC3CCCC3)cc2O)=C1O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].
What is the InChIKey of 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))?
The InChIKey is WENOUDZZXDWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H56N4O4.C36H43N3O5.C34H36Cl3N3O3.C34H50N6O4.C34H40N4O4.C34H48N4O4.C33H46N4O4.C31H42N4O4.10C5H10.20CH3.10Fe/c1-5-7-8-9-13-20-32(44)40-31-25-29(42(6-2)24-23-27-16-14-15-17-27)21-22-30(31)33-37(45)35(38(33)46)34-36(26(3)4)41-43(39(34)47)28-18-11-10-12-19-28;1-21-17-22(2)32(23(3)18-21)39-36(43)31(35(37-39)44-4)30-33(41)29(34(30)42)27-14-13-26(19-28(27)40)38(20-25-11-7-8-12-25)16-15-24-9-5-6-10-24;1-20-28(34(43)40(38-20)31-26(36)18-24(35)19-27(31)37)30-32(41)29(33(30)42)23-10-12-25(13-11-23)39(16-14-21-6-2-3-7-21)17-15-22-8-4-5-9-22;1-6-11-15-22(8-3)21-40-33(43)28(25(38-40)18-12-7-2)29-30(41)27(31(29)42)24-19-20-26(39(9-4)10-5)36-32(24)37-34(44)35-23-16-13-14-17-23;1-5-37(6-2)25-17-18-26(27(20-25)35-28(39)19-16-23-12-10-11-13-23)30-32(40)31(33(30)41)29-21(3)36-38(34(29)42)22(4)24-14-8-7-9-15-24;1-9-34(7,8)32(42)35-25-20-22(37(10-2)11-3)17-18-23(25)26-29(39)28(30(26)40)27-24(19-16-21-14-12-13-15-21)36-38(31(27)41)33(4,5)6;1-9-33(7,8)31(41)34-23-19-21(36(10-2)11-3)16-17-22(23)25-28(38)27(29(25)39)26-24(18-20-14-12-13-15-20)35-37(30(26)40)32(4,5)6;1-7-12-22-26(30(39)35(33-22)31(4,5)6)27-28(37)25(29(27)38)21-16-15-20(34(8-2)9-3)18-23(21)32-24(36)17-19-13-10-11-14-19;10*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h21-22,25-28,45H,5-20,23-24H2,1-4H3,(H,40,44);13-14,17-19,24-25,40-41H,5-12,15-16,20H2,1-4H3;10-13,18-19,21-22,41H,2-9,14-17H2,1H3;19-20,22-23,41H,6-18,21H2,1-5H3,(H2,35,36,37,44);7-9,14-15,17-18,20,22-23,40H,5-6,10-13,16,19H2,1-4H3,(H,35,39);17-18,20-21,39H,9-16,19H2,1-8H3,(H,35,42);16-17,19-20,38H,9-15,18H2,1-8H3,(H,34,41);15-16,18-19,37H,7-14,17H2,1-6H3,(H,32,36);10*1-5H2;20*1H3;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;20*-1;10*+2.
What are the key properties of 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+))?
4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+)) has a molecular weight of 6293.96 g/mol, XLogP of 86.41, 85 rotatable bonds, 16 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[bis(2-cyclopentylethyl)amino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-one;N-[2-[3-[1-tert-butyl-3-(2-cyclopentylethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;N-[2-[3-[1-tert-butyl-3-(cyclopentylmethyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2,2-dimethylbutanamide;1-[3-[3-[3-butyl-1-(2-ethylhexyl)-5-oxopyrazol-4-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-(diethylamino)-2-pyridinyl]-3-cyclopentylurea;N-[2-[3-(1-tert-butyl-5-oxo-3-propylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-(diethylamino)phenyl]-2-cyclopentylacetamide;carbanide;N-[2-[3-(1-cyclohexyl-5-oxo-3-propan-2-ylpyrazol-4-ylidene)-2-hydroxy-4-oxocyclobuten-1-yl]-5-[2-cyclopentylethyl(ethyl)amino]phenyl]octanamide;decakis(cyclopentane);3-cyclopentyl-N-[5-(diethylamino)-2-[2-hydroxy-3-[3-methyl-5-oxo-1-(1-phenylethyl)pyrazol-4-ylidene]-4-oxocyclobuten-1-yl]phenyl]propanamide;4-[3-[4-[2-cyclopentylethyl(cyclopentylmethyl)amino]-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-methoxy-2-(2,4,6-trimethylphenyl)pyrazol-3-one;decakis(iron(2+)) is sourced from PubChem (CID 162287788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).