4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole

C204H256BrCl2F27N26O4 — CID 161388931

IUPAC4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
SMILESC=C(C)c1cn(C(C)C)c2ccccc12.C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.CC(C)c1c[nH]c2c(F)cc(F)cc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1cn(C)c2cc(C(F)(F)F)ccc12.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)CC2(F)F.CC(C)n1nc(C(C)(F)F)c2c1CCC2(F)F.CC(C)n1nc(C(F)(F)F)cc1C(F)(F)F.CC(C)n1ncc2c(Cl)cc(Cl)cc21.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.Cc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1.Cc1ccc2c(ccn2C(C)C)c1.Cc1ccc2ccn(C(C)C)c2c1.Cc1cccc2c1c(C(C)C)cn2C.Cc1nn(C(C)C)c2cc(CCC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C19H21NO.C18H26N2O2.C14H17N.C13H14F3N.C13H17N.C12H22N2.2C12H15N.C11H12F4N2O.C11H14F4N2.C11H15F3N2.2C11H11F2N.C10H10Cl2N2.C9H12BrF3N2.C9H16N2.C8H8F6N2/c1-13(2)17-11-20-18-9-14(3)19(10-16(17)18)21-12-15-7-5-4-6-8-15;1-12(2)20-16-11-14(7-9-15(16)13(3)19-20)8-10-17(21)22-18(4,5)6;1-10(2)13-9-15(11(3)4)14-8-6-5-7-12(13)14;1-8(2)11-7-17(3)12-6-9(13(14,15)16)4-5-10(11)12;1-9(2)11-8-14(4)12-7-5-6-10(3)13(11)12;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-5(2)17-8-6(18)4-11(14,15)7(8)9(16-17)10(3,12)13;1-6(2)17-7-4-5-11(14,15)8(7)9(16-17)10(3,12)13;1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14;1-6(2)9-5-14-11-8(9)3-7(12)4-10(11)13;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-6(2)14-10-4-7(11)3-9(12)8(10)5-13-14;1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-7(2)9-10-5-6-11(9)8(3)4;1-4(2)16-6(8(12,13)14)3-5(15-16)7(9,10)11/h4-11,13,20H,12H2,1-3H3;7,9,11-12H,8,10H2,1-6H3;5-9,11H,1H2,2-4H3;4-8H,1-3H3;5-9H,1-4H3;7-10H,1-6H3;2*4-9H,1-3H3;5H,4H2,1-3H3;6H,4-5H2,1-3H3;5-7,11H,1H2,2-4H3;3-6,14H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4-5,9H,1-3H3;5-8H,1-4H3;3-4H,1-2H3
InChIKeyVSSJEFWXAWVPGI-UHFFFAOYSA-N
MW3800.23 g/mol
LogP64.56
Rot. Bonds34

About 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole

4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole (PubChem CID 161388931) has the molecular formula C204H256BrCl2F27N26O4 and a molecular weight of 3800.23 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
PubChem CID161388931
Molecular FormulaC204H256BrCl2F27N26O4
Molecular Weight3800.23 g/mol
Exact Mass3795.88
IUPAC Name4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
SMILESC=C(C)c1cn(C(C)C)c2ccccc12.C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.CC(C)c1c[nH]c2c(F)cc(F)cc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1cn(C)c2cc(C(F)(F)F)ccc12.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)CC2(F)F.CC(C)n1nc(C(C)(F)F)c2c1CCC2(F)F.CC(C)n1nc(C(F)(F)F)cc1C(F)(F)F.CC(C)n1ncc2c(Cl)cc(Cl)cc21.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.Cc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1.Cc1ccc2c(ccn2C(C)C)c1.Cc1ccc2ccn(C(C)C)c2c1.Cc1cccc2c1c(C(C)C)cn2C.Cc1nn(C(C)C)c2cc(CCC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C19H21NO.C18H26N2O2.C14H17N.C13H14F3N.C13H17N.C12H22N2.2C12H15N.C11H12F4N2O.C11H14F4N2.C11H15F3N2.2C11H11F2N.C10H10Cl2N2.C9H12BrF3N2.C9H16N2.C8H8F6N2/c1-13(2)17-11-20-18-9-14(3)19(10-16(17)18)21-12-15-7-5-4-6-8-15;1-12(2)20-16-11-14(7-9-15(16)13(3)19-20)8-10-17(21)22-18(4,5)6;1-10(2)13-9-15(11(3)4)14-8-6-5-7-12(13)14;1-8(2)11-7-17(3)12-6-9(13(14,15)16)4-5-10(11)12;1-9(2)11-8-14(4)12-7-5-6-10(3)13(11)12;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-5(2)17-8-6(18)4-11(14,15)7(8)9(16-17)10(3,12)13;1-6(2)17-7-4-5-11(14,15)8(7)9(16-17)10(3,12)13;1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14;1-6(2)9-5-14-11-8(9)3-7(12)4-10(11)13;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-6(2)14-10-4-7(11)3-9(12)8(10)5-13-14;1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-7(2)9-10-5-6-11(9)8(3)4;1-4(2)16-6(8(12,13)14)3-5(15-16)7(9,10)11/h4-11,13,20H,12H2,1-3H3;7,9,11-12H,8,10H2,1-6H3;5-9,11H,1H2,2-4H3;4-8H,1-3H3;5-9H,1-4H3;7-10H,1-6H3;2*4-9H,1-3H3;5H,4H2,1-3H3;6H,4-5H2,1-3H3;5-7,11H,1H2,2-4H3;3-6,14H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4-5,9H,1-3H3;5-8H,1-4H3;3-4H,1-2H3
InChIKeyVSSJEFWXAWVPGI-UHFFFAOYSA-N
XLogP64.56
TPSA274.14 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003800.23
LogP ≤ 564.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole with MolForge

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Related Compounds

tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;4,6-dichloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5,7-difluoro-1-methyl-3-propan-2-ylindole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
CID 158362725
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5,7-difluoro-1-methyl-3-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 160191319
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 160587021
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole
CID 160638966
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,6-dimethylpyrrolo[3,2-c]pyridine;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 160714457
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;4,6-dichloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5,7-difluoro-1-methyl-3-propan-2-ylindole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1-methyl-2-propan-2-ylimidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
CID 161259251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole?
The IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole (CID 161388931) is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole is C=C(C)c1cn(C(C)C)c2ccccc12.C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.CC(C)c1c[nH]c2c(F)cc(F)cc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1cn(C)c2cc(C(F)(F)F)ccc12.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)CC2(F)F.CC(C)n1nc(C(C)(F)F)c2c1CCC2(F)F.CC(C)n1nc(C(F)(F)F)cc1C(F)(F)F.CC(C)n1ncc2c(Cl)cc(Cl)cc21.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.Cc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1.Cc1ccc2c(ccn2C(C)C)c1.Cc1ccc2ccn(C(C)C)c2c1.Cc1cccc2c1c(C(C)C)cn2C.Cc1nn(C(C)C)c2cc(CCC(=O)OC(C)(C)C)ccc12.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole?
The InChIKey is VSSJEFWXAWVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.C18H26N2O2.C14H17N.C13H14F3N.C13H17N.C12H22N2.2C12H15N.C11H12F4N2O.C11H14F4N2.C11H15F3N2.2C11H11F2N.C10H10Cl2N2.C9H12BrF3N2.C9H16N2.C8H8F6N2/c1-13(2)17-11-20-18-9-14(3)19(10-16(17)18)21-12-15-7-5-4-6-8-15;1-12(2)20-16-11-14(7-9-15(16)13(3)19-20)8-10-17(21)22-18(4,5)6;1-10(2)13-9-15(11(3)4)14-8-6-5-7-12(13)14;1-8(2)11-7-17(3)12-6-9(13(14,15)16)4-5-10(11)12;1-9(2)11-8-14(4)12-7-5-6-10(3)13(11)12;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-5(2)17-8-6(18)4-11(14,15)7(8)9(16-17)10(3,12)13;1-6(2)17-7-4-5-11(14,15)8(7)9(16-17)10(3,12)13;1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14;1-6(2)9-5-14-11-8(9)3-7(12)4-10(11)13;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-6(2)14-10-4-7(11)3-9(12)8(10)5-13-14;1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-7(2)9-10-5-6-11(9)8(3)4;1-4(2)16-6(8(12,13)14)3-5(15-16)7(9,10)11/h4-11,13,20H,12H2,1-3H3;7,9,11-12H,8,10H2,1-6H3;5-9,11H,1H2,2-4H3;4-8H,1-3H3;5-9H,1-4H3;7-10H,1-6H3;2*4-9H,1-3H3;5H,4H2,1-3H3;6H,4-5H2,1-3H3;5-7,11H,1H2,2-4H3;3-6,14H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4-5,9H,1-3H3;5-8H,1-4H3;3-4H,1-2H3.
What are the key properties of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole?
4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole has a molecular weight of 3800.23 g/mol, XLogP of 64.56, 34 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole is sourced from PubChem (CID 161388931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).