1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C108H126Cl2F3N21O14 — CID 162167530

About 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 162167530) has the molecular formula C108H126Cl2F3N21O14 and a molecular weight of 2070.23 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 162167530
• Molecular Formula: C108H126Cl2F3N21O14
• Molecular Weight: 2070.23 g/mol
• Exact Mass: 2067.91
• IUPAC Name: 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CCC(Oc3cccc(Cl)c3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(N)=O)c(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccccc4Cl)C[C@H]3C2)n1.COC1CCN(c2cc(C)ccc2CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)CC1
• InChI: InChI=1S/C24H33N5O3.C24H26N4O2.C21H25ClN4O3.C20H22ClN3O3.C19H20F3N5O3/c1-18-4-5-20(23(16-18)27-9-6-21(32-3)7-10-27)17-26-12-14-28(15-13-26)24(31)29-11-8-22(25-29)19(2)30;1-18-16-21(20-6-4-3-5-7-20)8-9-22(18)17-26-12-14-27(15-13-26)24(30)28-11-10-23(25-28)19(2)29;1-15(27)18-9-14-26(23-18)21(28)25-12-7-16(8-13-25)29-19-6-4-5-17(22)20(19)24-10-2-3-11-24;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(28)16-4-5-27(24-16)18(30)26-8-6-25(7-9-26)11-13-2-3-14(17(23)29)15(10-13)19(20,21)22/h4-5,8,11,16,21H,6-7,9-10,12-15,17H2,1-3H3;3-11,16H,12-15,17H2,1-2H3;4-6,9,14,16H,2-3,7-8,10-13H2,1H3;2-7,15-17H,8-12H2,1H3;2-5,10H,6-9,11H2,1H3,(H2,23,29)/t;;;15-,16+,17?
• InChIKey: ZNIJDLRSGWXIQO-QMRLROSQSA-N
• XLogP: 16.12
• TPSA: 362.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.23
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 162167530) is 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(Oc3cccc(Cl)c3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(N)=O)c(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccccc4Cl)C[C@H]3C2)n1.COC1CCN(c2cc(C)ccc2CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)CC1.

What is the InChIKey of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is ZNIJDLRSGWXIQO-QMRLROSQSA-N. The full InChI is InChI=1S/C24H33N5O3.C24H26N4O2.C21H25ClN4O3.C20H22ClN3O3.C19H20F3N5O3/c1-18-4-5-20(23(16-18)27-9-6-21(32-3)7-10-27)17-26-12-14-28(15-13-26)24(31)29-11-8-22(25-29)19(2)30;1-18-16-21(20-6-4-3-5-7-20)8-9-22(18)17-26-12-14-27(15-13-26)24(30)28-11-10-23(25-28)19(2)29;1-15(27)18-9-14-26(23-18)21(28)25-12-7-16(8-13-25)29-19-6-4-5-17(22)20(19)24-10-2-3-11-24;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(28)16-4-5-27(24-16)18(30)26-8-6-25(7-9-26)11-13-2-3-14(17(23)29)15(10-13)19(20,21)22/h4-5,8,11,16,21H,6-7,9-10,12-15,17H2,1-3H3;3-11,16H,12-15,17H2,1-2H3;4-6,9,14,16H,2-3,7-8,10-13H2,1H3;2-7,15-17H,8-12H2,1H3;2-5,10H,6-9,11H2,1H3,(H2,23,29)/t;;;15-,16+,17?;.

What are the key properties of 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2070.23 g/mol, XLogP of 16.12, 21 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-(3-chloro-2-pyrrolidin-1-ylphenoxy)piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-methoxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 162167530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).