1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C115H118Cl3F3N22O16 — CID 163652582

About 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163652582) has the molecular formula C115H118Cl3F3N22O16 and a molecular weight of 2227.70 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 163652582
• Molecular Formula: C115H118Cl3F3N22O16
• Molecular Weight: 2227.70 g/mol
• Exact Mass: 2224.81
• IUPAC Name: 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CCC(OCc3cc(Cl)cc(Oc4ccc(Cl)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5cncnc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(Cl)c4C(F)(F)F)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccncn5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4ccccc4-n4cccn4)C[C@H]3C2)n1
• InChI: InChI=1S/C25H28N6O3.C24H23Cl2N3O4.C23H23N5O3.C22H23N5O3.C21H21ClF3N3O3/c1-19(32)23-5-9-31(28-23)24(33)30-11-7-25(8-12-30)6-10-29(17-25)16-20-3-2-4-21(13-20)34-22-14-26-18-27-15-22;1-16(30)23-8-11-29(27-23)24(31)28-9-6-20(7-10-28)32-15-17-12-19(26)14-22(13-17)33-21-4-2-18(25)3-5-21;1-15(29)21-6-8-28(26-21)23(30)27-12-17-10-20(11-18(17)13-27)31-19-4-2-3-16(9-19)22-5-7-24-14-25-22;1-15(28)19-7-10-27(24-19)22(29)25-13-16-11-18(12-17(16)14-25)30-21-6-3-2-5-20(21)26-9-4-8-23-26;1-12(29)18-5-6-28(26-18)20(30)27-9-14-7-16(8-15(14)10-27)31-11-13-3-2-4-17(22)19(13)21(23,24)25/h2-5,9,13-15,18H,6-8,10-12,16-17H2,1H3;2-5,8,11-14,20H,6-7,9-10,15H2,1H3;2-9,14,17-18,20H,10-13H2,1H3;2-10,16-18H,11-14H2,1H3;2-6,14-16H,7-11H2,1H3/t;;17-,18+,20?;16-,17+,18?;14-,15+,16?
• InChIKey: INMFCSIUWJMMMN-PMHKEBLTSA-N
• XLogP: 20.44
• TPSA: 404.00 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2227.70
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 163652582) is 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(OCc3cc(Cl)cc(Oc4ccc(Cl)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Oc5cncnc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(Cl)c4C(F)(F)F)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccncn5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4ccccc4-n4cccn4)C[C@H]3C2)n1.

What is the InChIKey of 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is INMFCSIUWJMMMN-PMHKEBLTSA-N. The full InChI is InChI=1S/C25H28N6O3.C24H23Cl2N3O4.C23H23N5O3.C22H23N5O3.C21H21ClF3N3O3/c1-19(32)23-5-9-31(28-23)24(33)30-11-7-25(8-12-30)6-10-29(17-25)16-20-3-2-4-21(13-20)34-22-14-26-18-27-15-22;1-16(30)23-8-11-29(27-23)24(31)28-9-6-20(7-10-28)32-15-17-12-19(26)14-22(13-17)33-21-4-2-18(25)3-5-21;1-15(29)21-6-8-28(26-21)23(30)27-12-17-10-20(11-18(17)13-27)31-19-4-2-3-16(9-19)22-5-7-24-14-25-22;1-15(28)19-7-10-27(24-19)22(29)25-13-16-11-18(12-17(16)14-25)30-21-6-3-2-5-20(21)26-9-4-8-23-26;1-12(29)18-5-6-28(26-18)20(30)27-9-14-7-16(8-15(14)10-27)31-11-13-3-2-4-17(22)19(13)21(23,24)25/h2-5,9,13-15,18H,6-8,10-12,16-17H2,1H3;2-5,8,11-14,20H,6-7,9-10,15H2,1H3;2-9,14,17-18,20H,10-13H2,1H3;2-10,16-18H,11-14H2,1H3;2-6,14-16H,7-11H2,1H3/t;;17-,18+,20?;16-,17+,18?;14-,15+,16?.

What are the key properties of 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2227.70 g/mol, XLogP of 20.44, 23 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3aS,6aR)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163652582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).