1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C139H163ClF3N23O16S — CID 163947458

About 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163947458) has the molecular formula C139H163ClF3N23O16S and a molecular weight of 2536.49 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 163947458
• Molecular Formula: C139H163ClF3N23O16S
• Molecular Weight: 2536.49 g/mol
• Exact Mass: 2534.20
• IUPAC Name: 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CCC(Oc3cc(N4CCCC4)cc(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(Oc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5nccs5)c4)C3)CC2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cccc(C)c4C)C[C@H]3C2)cc1C.CC(=O)c1nn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)cc1Cl
• InChI: InChI=1S/C25H24ClN3O3.C24H27N5O2S.C23H30N4O2.C23H29N3O3.C22H25F3N4O3.C22H28N4O3/c1-16(30)24-23(26)15-29(27-24)25(31)28-13-19-11-22(12-20(19)14-28)32-21-9-5-8-18(10-21)17-6-3-2-4-7-17;1-18(30)21-5-10-29(26-21)23(31)28-12-7-24(8-13-28)6-11-27(17-24)16-19-3-2-4-20(15-19)22-25-9-14-32-22;1-17-13-18(2)15-20(14-17)16-26-9-4-6-23(26)7-11-25(12-8-23)22(29)27-10-5-21(24-27)19(3)28;1-14-6-5-7-18(16(14)3)13-29-21-8-19-11-25(12-20(19)9-21)23(28)26-10-15(2)22(24-26)17(4)27;1-15(30)20-6-11-29(26-20)21(31)28-9-4-18(5-10-28)32-19-13-16(22(23,24)25)12-17(14-19)27-7-2-3-8-27;1-16-5-6-21(20(15-16)24-10-3-4-11-24)29-18-7-12-25(13-8-18)22(28)26-14-9-19(23-26)17(2)27/h2-10,15,19-20,22H,11-14H2,1H3;2-5,9-10,14-15H,6-8,11-13,16-17H2,1H3;5,10,13-15H,4,6-9,11-12,16H2,1-3H3;5-7,10,19-21H,8-9,11-13H2,1-4H3;6,11-14,18H,2-5,7-10H2,1H3;5-6,9,14-15,18H,3-4,7-8,10-13H2,1-2H3/t19-,20+,22?;;;19-,20+,21?
• InChIKey: RWJGREXSMVJIIB-FYNKPMAOSA-N
• XLogP: 24.76
• TPSA: 393.97 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2536.49
LogP ≤ 5	24.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 163947458) is 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(Oc3cc(N4CCCC4)cc(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC(Oc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5nccs5)c4)C3)CC2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cccc(C)c4C)C[C@H]3C2)cc1C.CC(=O)c1nn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)cc1Cl.

What is the InChIKey of 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is RWJGREXSMVJIIB-FYNKPMAOSA-N. The full InChI is InChI=1S/C25H24ClN3O3.C24H27N5O2S.C23H30N4O2.C23H29N3O3.C22H25F3N4O3.C22H28N4O3/c1-16(30)24-23(26)15-29(27-24)25(31)28-13-19-11-22(12-20(19)14-28)32-21-9-5-8-18(10-21)17-6-3-2-4-7-17;1-18(30)21-5-10-29(26-21)23(31)28-12-7-24(8-13-28)6-11-27(17-24)16-19-3-2-4-20(15-19)22-25-9-14-32-22;1-17-13-18(2)15-20(14-17)16-26-9-4-6-23(26)7-11-25(12-8-23)22(29)27-10-5-21(24-27)19(3)28;1-14-6-5-7-18(16(14)3)13-29-21-8-19-11-25(12-20(19)9-21)23(28)26-10-15(2)22(24-26)17(4)27;1-15(30)20-6-11-29(26-20)21(31)28-9-4-18(5-10-28)32-19-13-16(22(23,24)25)12-17(14-19)27-7-2-3-8-27;1-16-5-6-21(20(15-16)24-10-3-4-11-24)29-18-7-12-25(13-8-18)22(28)26-14-9-19(23-26)17(2)27/h2-10,15,19-20,22H,11-14H2,1H3;2-5,9-10,14-15H,6-8,11-13,16-17H2,1H3;5,10,13-15H,4,6-9,11-12,16H2,1-3H3;5-7,10,19-21H,8-9,11-13H2,1-4H3;6,11-14,18H,2-5,7-10H2,1H3;5-6,9,14-15,18H,3-4,7-8,10-13H2,1-2H3/t19-,20+,22?;;;19-,20+,21?;;.

What are the key properties of 1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2536.49 g/mol, XLogP of 24.76, 23 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-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-chloropyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-methyl-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163947458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).