1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C116H124ClF2N21O13 — CID 161223559

About 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 161223559) has the molecular formula C116H124ClF2N21O13 and a molecular weight of 2093.85 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 161223559
• Molecular Formula: C116H124ClF2N21O13
• Molecular Weight: 2093.85 g/mol
• Exact Mass: 2091.93
• IUPAC Name: 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3F)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccn4)cc3C)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ncccn5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cc(F)cc(Cl)c4)C[C@H]3C2)cc1C
• InChI: InChI=1S/C24H25FN4O2.C24H27N5O2.C24H26N4O3.C23H23N5O3.C21H23ClFN3O3/c1-17-15-27(12-13-28(17)24(31)29-11-10-23(26-29)18(2)30)16-21-9-8-20(14-22(21)25)19-6-4-3-5-7-19;1-17-14-20(23-6-4-5-10-25-23)7-8-21(17)16-27-12-13-28(18(2)15-27)24(31)29-11-9-22(26-29)19(3)30;1-18-6-8-21(9-7-18)31-22-5-3-4-20(16-22)17-26-12-14-27(15-13-26)24(30)28-11-10-23(25-28)19(2)29;1-15(29)21-6-9-28(26-21)23(30)27-13-17-11-20(12-18(17)14-27)31-19-5-2-4-16(10-19)22-24-7-3-8-25-22;1-12-8-26(24-20(12)13(2)27)21(28)25-9-15-5-19(6-16(15)10-25)29-11-14-3-17(22)7-18(23)4-14/h3-11,14,17H,12-13,15-16H2,1-2H3;4-11,14,18H,12-13,15-16H2,1-3H3;3-11,16H,12-15,17H2,1-2H3;2-10,17-18,20H,11-14H2,1H3;3-4,7-8,15-16,19H,5-6,9-11H2,1-2H3/t17-;18-;;17-,18+,20?;15-,16+,19?/m11.../s1
• InChIKey: UXVGGAKRKVEMHS-WGQACBCDSA-N
• XLogP: 19.05
• TPSA: 352.08 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.85
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 161223559) is 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3F)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccn4)cc3C)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ncccn5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cc(F)cc(Cl)c4)C[C@H]3C2)cc1C.

What is the InChIKey of 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is UXVGGAKRKVEMHS-WGQACBCDSA-N. The full InChI is InChI=1S/C24H25FN4O2.C24H27N5O2.C24H26N4O3.C23H23N5O3.C21H23ClFN3O3/c1-17-15-27(12-13-28(17)24(31)29-11-10-23(26-29)18(2)30)16-21-9-8-20(14-22(21)25)19-6-4-3-5-7-19;1-17-14-20(23-6-4-5-10-25-23)7-8-21(17)16-27-12-13-28(18(2)15-27)24(31)29-11-9-22(26-29)19(3)30;1-18-6-8-21(9-7-18)31-22-5-3-4-20(16-22)17-26-12-14-27(15-13-26)24(30)28-11-10-23(25-28)19(2)29;1-15(29)21-6-9-28(26-21)23(30)27-13-17-11-20(12-18(17)14-27)31-19-5-2-4-16(10-19)22-24-7-3-8-25-22;1-12-8-26(24-20(12)13(2)27)21(28)25-9-15-5-19(6-16(15)10-25)29-11-14-3-17(22)7-18(23)4-14/h3-11,14,17H,12-13,15-16H2,1-2H3;4-11,14,18H,12-13,15-16H2,1-3H3;3-11,16H,12-15,17H2,1-2H3;2-10,17-18,20H,11-14H2,1H3;3-4,7-8,15-16,19H,5-6,9-11H2,1-2H3/t17-;18-;;17-,18+,20?;15-,16+,19?/m11.../s1.

What are the key properties of 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2093.85 g/mol, XLogP of 19.05, 21 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3aS,6aR)-5-[(3-chloro-5-fluorophenyl)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-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 161223559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).