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

C109H128Cl4F4N20O13 — CID 160854148

About 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

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 (PubChem CID 160854148) has the molecular formula C109H128Cl4F4N20O13 and a molecular weight of 2144.15 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160854148
• Molecular Formula: C109H128Cl4F4N20O13
• Molecular Weight: 2144.15 g/mol
• Exact Mass: 2140.87
• IUPAC Name: 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
• SMILES: CC(=O)c1ccn(C(=O)N2CCC(OCc3cc(F)cc(Cl)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(N5CCCC5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)c(N4C5CCC4COC5)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccccc4Cl)C[C@H]3C2)n1
• InChI: InChI=1S/C25H32ClN5O2.C24H31N5O3.C22H24ClF3N4O2.C20H22ClN3O3.C18H19ClFN3O3/c1-19(32)23-4-10-31(27-23)24(33)30-12-6-25(7-13-30)5-11-28(18-25)17-20-14-21(26)16-22(15-20)29-8-2-3-9-29;1-17-3-4-19(13-23(17)29-20-5-6-21(29)16-32-15-20)14-26-9-11-27(12-10-26)24(31)28-8-7-22(25-28)18(2)30;1-15(31)19-4-8-30(27-19)20(32)29-10-6-21(7-11-29)5-9-28(14-21)13-16-12-17(23)2-3-18(16)22(24,25)26;1-13(25)19-6-7-24(22-19)20(26)23-10-15-8-17(9-16(15)11-23)27-12-14-4-2-3-5-18(14)21;1-12(24)17-4-7-23(21-17)18(25)22-5-2-16(3-6-22)26-11-13-8-14(19)10-15(20)9-13/h4,10,14-16H,2-3,5-9,11-13,17-18H2,1H3;3-4,7-8,13,20-21H,5-6,9-12,14-16H2,1-2H3;2-4,8,12H,5-7,9-11,13-14H2,1H3;2-7,15-17H,8-12H2,1H3;4,7-10,16H,2-3,5-6,11H2,1H3/t;;;15-,16+,17?
• InChIKey: SJQMVRMVJHVBPJ-QMRLROSQSA-N
• XLogP: 18.72
• TPSA: 319.89 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.15
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)c1ccn(C(=O)N2CCC(OCc3cc(F)cc(Cl)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)cc(N5CCCC5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)c(N4C5CCC4COC5)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccccc4Cl)C[C@H]3C2)n1.

What is the InChIKey of 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?

The InChIKey is SJQMVRMVJHVBPJ-QMRLROSQSA-N. The full InChI is InChI=1S/C25H32ClN5O2.C24H31N5O3.C22H24ClF3N4O2.C20H22ClN3O3.C18H19ClFN3O3/c1-19(32)23-4-10-31(27-23)24(33)30-12-6-25(7-13-30)5-11-28(18-25)17-20-14-21(26)16-22(15-20)29-8-2-3-9-29;1-17-3-4-19(13-23(17)29-20-5-6-21(29)16-32-15-20)14-26-9-11-27(12-10-26)24(31)28-8-7-22(25-28)18(2)30;1-15(31)19-4-8-30(27-19)20(32)29-10-6-21(7-11-29)5-9-28(14-21)13-16-12-17(23)2-3-18(16)22(24,25)26;1-13(25)19-6-7-24(22-19)20(26)23-10-15-8-17(9-16(15)11-23)27-12-14-4-2-3-5-18(14)21;1-12(24)17-4-7-23(21-17)18(25)22-5-2-16(3-6-22)26-11-13-8-14(19)10-15(20)9-13/h4,10,14-16H,2-3,5-9,11-13,17-18H2,1H3;3-4,7-8,13,20-21H,5-6,9-12,14-16H2,1-2H3;2-4,8,12H,5-7,9-11,13-14H2,1H3;2-7,15-17H,8-12H2,1H3;4,7-10,16H,2-3,5-6,11H2,1H3/t;;;15-,16+,17?;.

What are the key properties of 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?

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 has a molecular weight of 2144.15 g/mol, XLogP of 18.72, 19 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160854148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).