1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone

C116H136Cl3F6N21O12 — CID 161204151

IUPAC1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3C4CCC3COC4)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(CN(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccc(Cl)cc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1
InChIInChI=1S/C27H29ClN4O3.C27H37N5O3.C21H24ClF3N4O2.C21H25ClN4O2.C20H21F3N4O2/c1-20(33)25-9-13-32(29-25)26(34)31-15-11-27(12-16-31)10-14-30(19-27)18-21-3-2-4-24(17-21)35-23-7-5-22(28)6-8-23;1-19-5-6-21(25(15-19)32-22-7-8-23(32)18-35-17-22)16-29(4)27(3)10-13-30(14-11-27)26(34)31-12-9-24(28-31)20(2)33;1-14(30)19-7-10-29(26-19)20(31)28-8-5-15(6-9-28)12-27(2)13-16-11-17(22)3-4-18(16)21(23,24)25;1-14(27)20-7-8-26(23-20)21(28)25-12-16-9-18(10-17(16)13-25)24(2)11-15-5-3-4-6-19(15)22;1-13(28)18-5-6-27(24-18)19(29)26-11-15-9-25(10-16(15)12-26)8-14-3-2-4-17(7-14)20(21,22)23/h2-9,13,17H,10-12,14-16,18-19H2,1H3;5-6,9,12,15,22-23H,7-8,10-11,13-14,16-18H2,1-4H3;3-4,7,10-11,15H,5-6,8-9,12-13H2,1-2H3;3-8,16-18H,9-13H2,1-2H3;2-7,15-16H,8-12H2,1H3/t;;;16-,17+,18?;
InChIKeyUVJKNSSEIKDOSX-ORQCVFFCSA-N
MW2236.85 g/mol
LogP20.46
Rot. Bonds22

About 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 161204151) has the molecular formula C116H136Cl3F6N21O12 and a molecular weight of 2236.85 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
PubChem CID161204151
Molecular FormulaC116H136Cl3F6N21O12
Molecular Weight2236.85 g/mol
Exact Mass2233.96
IUPAC Name1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3C4CCC3COC4)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(CN(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccc(Cl)cc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1
InChIInChI=1S/C27H29ClN4O3.C27H37N5O3.C21H24ClF3N4O2.C21H25ClN4O2.C20H21F3N4O2/c1-20(33)25-9-13-32(29-25)26(34)31-15-11-27(12-16-31)10-14-30(19-27)18-21-3-2-4-24(17-21)35-23-7-5-22(28)6-8-23;1-19-5-6-21(25(15-19)32-22-7-8-23(32)18-35-17-22)16-29(4)27(3)10-13-30(14-11-27)26(34)31-12-9-24(28-31)20(2)33;1-14(30)19-7-10-29(26-19)20(31)28-8-5-15(6-9-28)12-27(2)13-16-11-17(22)3-4-18(16)21(23,24)25;1-14(27)20-7-8-26(23-20)21(28)25-12-16-9-18(10-17(16)13-25)24(2)11-15-5-3-4-6-19(15)22;1-13(28)18-5-6-27(24-18)19(29)26-11-15-9-25(10-16(15)12-26)8-14-3-2-4-17(7-14)20(21,22)23/h2-9,13,17H,10-12,14-16,18-19H2,1H3;5-6,9,12,15,22-23H,7-8,10-11,13-14,16-18H2,1-4H3;3-4,7,10-11,15H,5-6,8-9,12-13H2,1-2H3;3-8,16-18H,9-13H2,1-2H3;2-7,15-16H,8-12H2,1H3/t;;;16-,17+,18?;
InChIKeyUVJKNSSEIKDOSX-ORQCVFFCSA-N
XLogP20.46
TPSA313.90 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.85
LogP ≤ 520.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

CID 157703971
CID 157703971
1-[1-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
CID 157754457
1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 157867606
1-[4-Chloro-1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-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-[4-chloro-1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[4-methyl-1-[2-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone
CID 158855940
1-[4-chloro-1-[4-[[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(4-hydroxyoxan-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[4-methyl-1-[4-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(4-methyl-2-piperidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 159089841
CID 159545323
CID 159545323
1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2-chloro-4-morpholin-4-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;methane;1-[1-[2-[(2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 159860950
1-[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[4-chloro-1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one
CID 160827903
1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-chloro-5-fluorophenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 160854148
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-[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-methyl-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(2H-tetrazol-5-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 161093438
1-[1-[(3aR,6aS)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;bis(1-[1-[(3aR,6aS)-5-[(3-phenylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 161522285
1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[(3-phenylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(4-fluoro-3-phenoxyphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 161885991

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone (CID 161204151) is 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3C4CCC3COC4)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(CN(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5ccc(Cl)cc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4ccccc4Cl)C[C@H]3C2)n1.
What is the InChIKey of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is UVJKNSSEIKDOSX-ORQCVFFCSA-N. The full InChI is InChI=1S/C27H29ClN4O3.C27H37N5O3.C21H24ClF3N4O2.C21H25ClN4O2.C20H21F3N4O2/c1-20(33)25-9-13-32(29-25)26(34)31-15-11-27(12-16-31)10-14-30(19-27)18-21-3-2-4-24(17-21)35-23-7-5-22(28)6-8-23;1-19-5-6-21(25(15-19)32-22-7-8-23(32)18-35-17-22)16-29(4)27(3)10-13-30(14-11-27)26(34)31-12-9-24(28-31)20(2)33;1-14(30)19-7-10-29(26-19)20(31)28-8-5-15(6-9-28)12-27(2)13-16-11-17(22)3-4-18(16)21(23,24)25;1-14(27)20-7-8-26(23-20)21(28)25-12-16-9-18(10-17(16)13-25)24(2)11-15-5-3-4-6-19(15)22;1-13(28)18-5-6-27(24-18)19(29)26-11-15-9-25(10-16(15)12-26)8-14-3-2-4-17(7-14)20(21,22)23/h2-9,13,17H,10-12,14-16,18-19H2,1H3;5-6,9,12,15,22-23H,7-8,10-11,13-14,16-18H2,1-4H3;3-4,7,10-11,15H,5-6,8-9,12-13H2,1-2H3;3-8,16-18H,9-13H2,1-2H3;2-7,15-16H,8-12H2,1H3/t;;;16-,17+,18?;.
What are the key properties of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2236.85 g/mol, XLogP of 20.46, 22 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]methyl]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 161204151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).