1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone

C144H166Cl4FN25O15 — CID 163552657

IUPAC1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3[C@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(Cl)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(N4CCOCC4)cc3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4cccc(-c5ccccc5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)n1
InChIInChI=1S/C27H39N5O2.C27H30N4O2.C25H25N3O3.C23H22ClFN4O3.C21H24Cl2N4O2.C21H26ClN5O3/c1-19-7-10-23(25(17-19)32-20(2)8-9-21(32)3)18-29(6)27(5)12-15-30(16-13-27)26(34)31-14-11-24(28-31)22(4)33;1-19(32)26-11-12-31(28-26)27(33)30-17-23-14-25(15-24(23)18-30)29(2)16-20-7-6-10-22(13-20)21-8-4-3-5-9-21;1-17(29)24-10-11-28(26-24)25(30)27-15-20-13-23(14-21(20)16-27)31-22-9-5-8-19(12-22)18-6-3-2-4-7-18;1-16(30)22-6-7-29(26-22)23(31)28-10-8-27(9-11-28)15-17-12-19(25)14-21(13-17)32-20-4-2-18(24)3-5-20;1-15(28)19-2-6-27(24-19)20(29)26-8-4-21(5-9-26)3-7-25(14-21)13-16-10-17(22)12-18(23)11-16;1-16(28)20-4-5-27(23-20)21(29)26-8-6-24(7-9-26)15-17-2-3-18(14-19(17)22)25-10-12-30-13-11-25/h7,10-11,14,17,20-21H,8-9,12-13,15-16,18H2,1-6H3;3-13,23-25H,14-18H2,1-2H3;2-12,20-21,23H,13-16H2,1H3;2-7,12-14H,8-11,15H2,1H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;2-5,14H,6-13,15H2,1H3/t20-,21+;23-,24+,25?;20-,21+,23?;;;
InChIKeyFKIVWRXXICEATC-KAEYAZEKSA-N
MW2647.88 g/mol
LogP24.97
Rot. Bonds26

About 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163552657) has the molecular formula C144H166Cl4FN25O15 and a molecular weight of 2647.88 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163552657
Molecular FormulaC144H166Cl4FN25O15
Molecular Weight2647.88 g/mol
Exact Mass2644.17
IUPAC Name1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3[C@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(Cl)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(N4CCOCC4)cc3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4cccc(-c5ccccc5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)n1
InChIInChI=1S/C27H39N5O2.C27H30N4O2.C25H25N3O3.C23H22ClFN4O3.C21H24Cl2N4O2.C21H26ClN5O3/c1-19-7-10-23(25(17-19)32-20(2)8-9-21(32)3)18-29(6)27(5)12-15-30(16-13-27)26(34)31-14-11-24(28-31)22(4)33;1-19(32)26-11-12-31(28-26)27(33)30-17-23-14-25(15-24(23)18-30)29(2)16-20-7-6-10-22(13-20)21-8-4-3-5-9-21;1-17(29)24-10-11-28(26-24)25(30)27-15-20-13-23(14-21(20)16-27)31-22-9-5-8-19(12-22)18-6-3-2-4-7-18;1-16(30)22-6-7-29(26-22)23(31)28-10-8-27(9-11-28)15-17-12-19(25)14-21(13-17)32-20-4-2-18(24)3-5-20;1-15(28)19-2-6-27(24-19)20(29)26-8-4-21(5-9-26)3-7-25(14-21)13-16-10-17(22)12-18(23)11-16;1-16(28)20-4-5-27(23-20)21(29)26-8-6-24(7-9-26)15-17-2-3-18(14-19(17)22)25-10-12-30-13-11-25/h7,10-11,14,17,20-21H,8-9,12-13,15-16,18H2,1-6H3;3-13,23-25H,14-18H2,1-2H3;2-12,20-21,23H,13-16H2,1H3;2-7,12-14H,8-11,15H2,1H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;2-5,14H,6-13,15H2,1H3/t20-,21+;23-,24+,25?;20-,21+,23?;;;
InChIKeyFKIVWRXXICEATC-KAEYAZEKSA-N
XLogP24.97
TPSA381.57 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002647.88
LogP ≤ 524.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163552657) is 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3[C@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(Cl)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(F)cc(Oc4ccc(Cl)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(N4CCOCC4)cc3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(N(C)Cc4cccc(-c5ccccc5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)n1.
What is the InChIKey of 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is FKIVWRXXICEATC-KAEYAZEKSA-N. The full InChI is InChI=1S/C27H39N5O2.C27H30N4O2.C25H25N3O3.C23H22ClFN4O3.C21H24Cl2N4O2.C21H26ClN5O3/c1-19-7-10-23(25(17-19)32-20(2)8-9-21(32)3)18-29(6)27(5)12-15-30(16-13-27)26(34)31-14-11-24(28-31)22(4)33;1-19(32)26-11-12-31(28-26)27(33)30-17-23-14-25(15-24(23)18-30)29(2)16-20-7-6-10-22(13-20)21-8-4-3-5-9-21;1-17(29)24-10-11-28(26-24)25(30)27-15-20-13-23(14-21(20)16-27)31-22-9-5-8-19(12-22)18-6-3-2-4-7-18;1-16(30)22-6-7-29(26-22)23(31)28-10-8-27(9-11-28)15-17-12-19(25)14-21(13-17)32-20-4-2-18(24)3-5-20;1-15(28)19-2-6-27(24-19)20(29)26-8-4-21(5-9-26)3-7-25(14-21)13-16-10-17(22)12-18(23)11-16;1-16(28)20-4-5-27(23-20)21(29)26-8-6-24(7-9-26)15-17-2-3-18(14-19(17)22)25-10-12-30-13-11-25/h7,10-11,14,17,20-21H,8-9,12-13,15-16,18H2,1-6H3;3-13,23-25H,14-18H2,1-2H3;2-12,20-21,23H,13-16H2,1H3;2-7,12-14H,8-11,15H2,1H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;2-5,14H,6-13,15H2,1H3/t20-,21+;23-,24+,25?;20-,21+,23?;;;.
What are the key properties of 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2647.88 g/mol, XLogP of 24.97, 26 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-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-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163552657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).