1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C177H189Cl11F15N33O18 — CID 163949446

IUPAC1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cnccc4C(F)(F)F)C3)CC2)n1.CC(=O)c1nn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)cc1C.CC(=O)c1nn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)cc1Cl.CC(=O)c1nn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)CC2)cc1C.CC(=O)c1nn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1C.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)cc1Cl
InChIInChI=1S/C24H25ClN4O3.C23H22Cl2N4O3.C23H26ClF3N4O2.C22H23Cl2F3N4O2.C22H24ClF3N4O2.C21H21Cl2F3N4O2.C21H24Cl2N4O2.C21H24F3N5O2/c1-17-15-29(26-23(17)18(2)30)24(31)28-12-10-27(11-13-28)16-19-4-3-5-22(14-19)32-21-8-6-20(25)7-9-21;1-16(30)22-21(25)15-29(26-22)23(31)28-11-9-27(10-12-28)14-17-3-2-4-20(13-17)32-19-7-5-18(24)6-8-19;1-15-12-31(28-20(15)16(2)32)21(33)30-9-6-22(7-10-30)5-8-29(14-22)13-17-11-18(24)3-4-19(17)23(25,26)27;1-14(32)19-18(24)12-31(28-19)20(33)30-8-5-21(6-9-30)4-7-29(13-21)11-15-10-16(23)2-3-17(15)22(25,26)27;1-14-10-30(27-19(14)15(2)31)20(32)29-7-5-21(6-8-29)12-28(13-21)11-16-9-17(23)3-4-18(16)22(24,25)26;1-13(31)18-17(23)10-30(27-18)19(32)29-6-4-20(5-7-29)11-28(12-20)9-14-8-15(22)2-3-16(14)21(24,25)26;1-13(28)20-19(23)12-27(24-20)21(29)26-10-15-7-17(8-16(15)11-26)25(2)9-14-5-3-4-6-18(14)22;1-15(30)18-3-8-29(26-18)19(31)28-10-5-20(6-11-28)4-9-27(14-20)13-16-12-25-7-2-17(16)21(22,23)24/h3-9,14-15H,10-13,16H2,1-2H3;2-8,13,15H,9-12,14H2,1H3;3-4,11-12H,5-10,13-14H2,1-2H3;2-3,10,12H,4-9,11,13H2,1H3;3-4,9-10H,5-8,11-13H2,1-2H3;2-3,8,10H,4-7,9,11-12H2,1H3;3-6,12,15-17H,7-11H2,1-2H3;2-3,7-8,12H,4-6,9-11,13-14H2,1H3/t;;;;;;15-,16+,17?;
InChIKeyRYAOXDGTZZMTLT-UGYSIABOSA-N
MW3741.62 g/mol
LogP37.25
Rot. Bonds29

About 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163949446) has the molecular formula C177H189Cl11F15N33O18 and a molecular weight of 3741.62 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163949446
Molecular FormulaC177H189Cl11F15N33O18
Molecular Weight3741.62 g/mol
Exact Mass3734.12
IUPAC Name1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cnccc4C(F)(F)F)C3)CC2)n1.CC(=O)c1nn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)cc1C.CC(=O)c1nn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)cc1Cl.CC(=O)c1nn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)CC2)cc1C.CC(=O)c1nn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1C.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)cc1Cl
InChIInChI=1S/C24H25ClN4O3.C23H22Cl2N4O3.C23H26ClF3N4O2.C22H23Cl2F3N4O2.C22H24ClF3N4O2.C21H21Cl2F3N4O2.C21H24Cl2N4O2.C21H24F3N5O2/c1-17-15-29(26-23(17)18(2)30)24(31)28-12-10-27(11-13-28)16-19-4-3-5-22(14-19)32-21-8-6-20(25)7-9-21;1-16(30)22-21(25)15-29(26-22)23(31)28-11-9-27(10-12-28)14-17-3-2-4-20(13-17)32-19-7-5-18(24)6-8-19;1-15-12-31(28-20(15)16(2)32)21(33)30-9-6-22(7-10-30)5-8-29(14-22)13-17-11-18(24)3-4-19(17)23(25,26)27;1-14(32)19-18(24)12-31(28-19)20(33)30-8-5-21(6-9-30)4-7-29(13-21)11-15-10-16(23)2-3-17(15)22(25,26)27;1-14-10-30(27-19(14)15(2)31)20(32)29-7-5-21(6-8-29)12-28(13-21)11-16-9-17(23)3-4-18(16)22(24,25)26;1-13(31)18-17(23)10-30(27-18)19(32)29-6-4-20(5-7-29)11-28(12-20)9-14-8-15(22)2-3-16(14)21(24,25)26;1-13(28)20-19(23)12-27(24-20)21(29)26-10-15-7-17(8-16(15)11-26)25(2)9-14-5-3-4-6-18(14)22;1-15(30)18-3-8-29(26-18)19(31)28-10-5-20(6-11-28)4-9-27(14-20)13-16-12-25-7-2-17(16)21(22,23)24/h3-9,14-15H,10-13,16H2,1-2H3;2-8,13,15H,9-12,14H2,1H3;3-4,11-12H,5-10,13-14H2,1-2H3;2-3,10,12H,4-9,11,13H2,1H3;3-4,9-10H,5-8,11-13H2,1-2H3;2-3,8,10H,4-7,9,11-12H2,1H3;3-6,12,15-17H,7-11H2,1-2H3;2-3,7-8,12H,4-6,9-11,13-14H2,1H3/t;;;;;;15-,16+,17?;
InChIKeyRYAOXDGTZZMTLT-UGYSIABOSA-N
XLogP37.25
TPSA498.87 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds29
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003741.62
LogP ≤ 537.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 163949446) is 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cnccc4C(F)(F)F)C3)CC2)n1.CC(=O)c1nn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)cc1C.CC(=O)c1nn(C(=O)N2CCC3(CC2)CN(Cc2cc(Cl)ccc2C(F)(F)F)C3)cc1Cl.CC(=O)c1nn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)CC2)cc1C.CC(=O)c1nn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1C.CC(=O)c1nn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1Cl.CC(=O)c1nn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)cc1Cl.
What is the InChIKey of 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is RYAOXDGTZZMTLT-UGYSIABOSA-N. The full InChI is InChI=1S/C24H25ClN4O3.C23H22Cl2N4O3.C23H26ClF3N4O2.C22H23Cl2F3N4O2.C22H24ClF3N4O2.C21H21Cl2F3N4O2.C21H24Cl2N4O2.C21H24F3N5O2/c1-17-15-29(26-23(17)18(2)30)24(31)28-12-10-27(11-13-28)16-19-4-3-5-22(14-19)32-21-8-6-20(25)7-9-21;1-16(30)22-21(25)15-29(26-22)23(31)28-11-9-27(10-12-28)14-17-3-2-4-20(13-17)32-19-7-5-18(24)6-8-19;1-15-12-31(28-20(15)16(2)32)21(33)30-9-6-22(7-10-30)5-8-29(14-22)13-17-11-18(24)3-4-19(17)23(25,26)27;1-14(32)19-18(24)12-31(28-19)20(33)30-8-5-21(6-9-30)4-7-29(13-21)11-15-10-16(23)2-3-17(15)22(25,26)27;1-14-10-30(27-19(14)15(2)31)20(32)29-7-5-21(6-8-29)12-28(13-21)11-16-9-17(23)3-4-18(16)22(24,25)26;1-13(31)18-17(23)10-30(27-18)19(32)29-6-4-20(5-7-29)11-28(12-20)9-14-8-15(22)2-3-16(14)21(24,25)26;1-13(28)20-19(23)12-27(24-20)21(29)26-10-15-7-17(8-16(15)11-26)25(2)9-14-5-3-4-6-18(14)22;1-15(30)18-3-8-29(26-18)19(31)28-10-5-20(6-11-28)4-9-27(14-20)13-16-12-25-7-2-17(16)21(22,23)24/h3-9,14-15H,10-13,16H2,1-2H3;2-8,13,15H,9-12,14H2,1H3;3-4,11-12H,5-10,13-14H2,1-2H3;2-3,10,12H,4-9,11,13H2,1H3;3-4,9-10H,5-8,11-13H2,1-2H3;2-3,8,10H,4-7,9,11-12H2,1H3;3-6,12,15-17H,7-11H2,1-2H3;2-3,7-8,12H,4-6,9-11,13-14H2,1H3/t;;;;;;15-,16+,17?;.
What are the key properties of 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 3741.62 g/mol, XLogP of 37.25, 29 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[4-chloro-1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163949446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).