1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one

C169H196Cl8N32O17 — CID 163558880

IUPAC1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1
InChIInChI=1S/C24H26N4O3.C22H27ClN4O2.C21H24Cl2N4O2.C21H25ClN4O2.C21H26N4O2.C20H22Cl2N4O2.2C20H23ClN4O2/c1-2-23(29)22-11-12-28(25-22)24(30)27-15-13-26(14-16-27)18-19-7-6-10-21(17-19)31-20-8-4-3-5-9-20;1-3-21(28)20-8-9-27(24-20)22(29)26-13-16-10-18(11-17(16)14-26)25(2)12-15-6-4-5-7-19(15)23;1-2-19(28)18-5-8-27(24-18)20(29)26-10-7-21(14-26)6-9-25(13-21)12-15-11-16(22)3-4-17(15)23;1-2-19(27)18-7-10-26(23-18)20(28)25-12-9-21(15-25)8-11-24(14-21)13-16-3-5-17(22)6-4-16;1-3-20(26)19-8-9-25(22-19)21(27)24-13-17-11-23(12-18(17)14-24)10-16-6-4-15(2)5-7-16;1-14(27)18-4-7-26(23-18)19(28)25-9-6-20(13-25)5-8-24(12-20)11-15-10-16(21)2-3-17(15)22;1-15(26)18-6-9-25(22-18)19(27)24-11-8-20(14-24)7-10-23(13-20)12-16-2-4-17(21)5-3-16;1-2-19(26)18-7-8-25(22-18)20(27)24-12-15-10-23(11-16(15)13-24)9-14-3-5-17(21)6-4-14/h3-12,17H,2,13-16,18H2,1H3;4-9,16-18H,3,10-14H2,1-2H3;3-5,8,11H,2,6-7,9-10,12-14H2,1H3;3-7,10H,2,8-9,11-15H2,1H3;4-9,17-18H,3,10-14H2,1-2H3;2-4,7,10H,5-6,8-9,11-13H2,1H3;2-6,9H,7-8,10-14H2,1H3;3-8,15-16H,2,9-13H2,1H3/t;16-,17+,18?;;;;;;
InChIKeyFPLYOTPZOGMMEQ-FLZBLTFRSA-N
MW3231.26 g/mol
LogP29.28
Rot. Bonds33

About 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one

1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one (PubChem CID 163558880) has the molecular formula C169H196Cl8N32O17 and a molecular weight of 3231.26 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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one.

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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one
PubChem CID163558880
Molecular FormulaC169H196Cl8N32O17
Molecular Weight3231.26 g/mol
Exact Mass3225.30
IUPAC Name1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one
SMILESCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1
InChIInChI=1S/C24H26N4O3.C22H27ClN4O2.C21H24Cl2N4O2.C21H25ClN4O2.C21H26N4O2.C20H22Cl2N4O2.2C20H23ClN4O2/c1-2-23(29)22-11-12-28(25-22)24(30)27-15-13-26(14-16-27)18-19-7-6-10-21(17-19)31-20-8-4-3-5-9-20;1-3-21(28)20-8-9-27(24-20)22(29)26-13-16-10-18(11-17(16)14-26)25(2)12-15-6-4-5-7-19(15)23;1-2-19(28)18-5-8-27(24-18)20(29)26-10-7-21(14-26)6-9-25(13-21)12-15-11-16(22)3-4-17(15)23;1-2-19(27)18-7-10-26(23-18)20(28)25-12-9-21(15-25)8-11-24(14-21)13-16-3-5-17(22)6-4-16;1-3-20(26)19-8-9-25(22-19)21(27)24-13-17-11-23(12-18(17)14-24)10-16-6-4-15(2)5-7-16;1-14(27)18-4-7-26(23-18)19(28)25-9-6-20(13-25)5-8-24(12-20)11-15-10-16(21)2-3-17(15)22;1-15(26)18-6-9-25(22-18)19(27)24-11-8-20(14-24)7-10-23(13-20)12-16-2-4-17(21)5-3-16;1-2-19(26)18-7-8-25(22-18)20(27)24-12-15-10-23(11-16(15)13-24)9-14-3-5-17(21)6-4-14/h3-12,17H,2,13-16,18H2,1H3;4-9,16-18H,3,10-14H2,1-2H3;3-5,8,11H,2,6-7,9-10,12-14H2,1H3;3-7,10H,2,8-9,11-15H2,1H3;4-9,17-18H,3,10-14H2,1-2H3;2-4,7,10H,5-6,8-9,11-13H2,1H3;2-6,9H,7-8,10-14H2,1H3;3-8,15-16H,2,9-13H2,1H3/t;16-,17+,18?;;;;;;
InChIKeyFPLYOTPZOGMMEQ-FLZBLTFRSA-N
XLogP29.28
TPSA476.75 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds33
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003231.26
LogP ≤ 529.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one 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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one?
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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one (CID 163558880) is 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one.
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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one?
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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one is CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4Cl)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)cc4)C3)C2)n1.CCC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)n1.CCC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1.
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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one?
The InChIKey is FPLYOTPZOGMMEQ-FLZBLTFRSA-N. The full InChI is InChI=1S/C24H26N4O3.C22H27ClN4O2.C21H24Cl2N4O2.C21H25ClN4O2.C21H26N4O2.C20H22Cl2N4O2.2C20H23ClN4O2/c1-2-23(29)22-11-12-28(25-22)24(30)27-15-13-26(14-16-27)18-19-7-6-10-21(17-19)31-20-8-4-3-5-9-20;1-3-21(28)20-8-9-27(24-20)22(29)26-13-16-10-18(11-17(16)14-26)25(2)12-15-6-4-5-7-19(15)23;1-2-19(28)18-5-8-27(24-18)20(29)26-10-7-21(14-26)6-9-25(13-21)12-15-11-16(22)3-4-17(15)23;1-2-19(27)18-7-10-26(23-18)20(28)25-12-9-21(15-25)8-11-24(14-21)13-16-3-5-17(22)6-4-16;1-3-20(26)19-8-9-25(22-19)21(27)24-13-17-11-23(12-18(17)14-24)10-16-6-4-15(2)5-7-16;1-14(27)18-4-7-26(23-18)19(28)25-9-6-20(13-25)5-8-24(12-20)11-15-10-16(21)2-3-17(15)22;1-15(26)18-6-9-25(22-18)19(27)24-11-8-20(14-24)7-10-23(13-20)12-16-2-4-17(21)5-3-16;1-2-19(26)18-7-8-25(22-18)20(27)24-12-15-10-23(11-16(15)13-24)9-14-3-5-17(21)6-4-14/h3-12,17H,2,13-16,18H2,1H3;4-9,16-18H,3,10-14H2,1-2H3;3-5,8,11H,2,6-7,9-10,12-14H2,1H3;3-7,10H,2,8-9,11-15H2,1H3;4-9,17-18H,3,10-14H2,1-2H3;2-4,7,10H,5-6,8-9,11-13H2,1H3;2-6,9H,7-8,10-14H2,1H3;3-8,15-16H,2,9-13H2,1H3/t;16-,17+,18?;;;;;;.
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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one?
1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one has a molecular weight of 3231.26 g/mol, XLogP of 29.28, 33 rotatable bonds, 0 hydrogen bond donors, and 41 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]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[(2,5-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[2-[(4-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[4-[(3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]propan-1-one is sourced from PubChem (CID 163558880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).