N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide

C114H139Cl5F6N28O11 — CID 159881363

About N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide

N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 159881363) has the molecular formula C114H139Cl5F6N28O11 and a molecular weight of 2368.80 g/mol. Its IUPAC name is N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
• PubChem CID: 159881363
• Molecular Formula: C114H139Cl5F6N28O11
• Molecular Weight: 2368.80 g/mol
• Exact Mass: 2364.95
• IUPAC Name: N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
• SMILES: CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4c(Cl)cccc4Cl)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)cc(N5CCCC5)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cc(N5CCCC5)cc(C(F)(F)F)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cc(N5CCOCC5)cc(C(F)(F)F)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4Cl)CC3C2)c1
• InChI: InChI=1S/C25H31F3N6O3.C25H31F3N6O2.C24H31ClN6O2.2C20H23Cl2N5O2/c1-17(35)30(2)23-10-29-34(16-23)24(36)33-14-19-12-31(13-20(19)15-33)11-18-7-21(25(26,27)28)9-22(8-18)32-3-5-37-6-4-32;1-17(35)30(2)23-10-29-34(16-23)24(36)33-14-19-12-31(13-20(19)15-33)11-18-7-21(25(26,27)28)9-22(8-18)32-5-3-4-6-32;1-17(32)27(2)23-10-26-31(16-23)24(33)30-14-19-12-28(13-20(19)15-30)11-18-7-21(25)9-22(8-18)29-5-3-4-6-29;1-13(28)24(2)18-6-23-27(12-18)20(29)26-10-15-8-25(9-16(15)11-26)7-14-3-4-17(21)5-19(14)22;1-13(28)24(2)16-6-23-27(11-16)20(29)26-9-14-7-25(8-15(14)10-26)12-17-18(21)4-3-5-19(17)22/h7-10,16,19-20H,3-6,11-15H2,1-2H3;7-10,16,19-20H,3-6,11-15H2,1-2H3;7-10,16,19-20H,3-6,11-15H2,1-2H3;3-6,12,15-16H,7-11H2,1-2H3;3-6,11,14-15H,7-10,12H2,1-2H3
• InChIKey: NTOJPUMBDUPUFY-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 327.35 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.80
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?

The IUPAC name of N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide (CID 159881363) is N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide.

What is the SMILES notation for N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?

The canonical SMILES for N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4c(Cl)cccc4Cl)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)cc(N5CCCC5)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cc(N5CCCC5)cc(C(F)(F)F)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4cc(N5CCOCC5)cc(C(F)(F)F)c4)CC3C2)c1.CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4Cl)CC3C2)c1.

What is the InChIKey of N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?

The InChIKey is NTOJPUMBDUPUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O3.C25H31F3N6O2.C24H31ClN6O2.2C20H23Cl2N5O2/c1-17(35)30(2)23-10-29-34(16-23)24(36)33-14-19-12-31(13-20(19)15-33)11-18-7-21(25(26,27)28)9-22(8-18)32-3-5-37-6-4-32;1-17(35)30(2)23-10-29-34(16-23)24(36)33-14-19-12-31(13-20(19)15-33)11-18-7-21(25(26,27)28)9-22(8-18)32-5-3-4-6-32;1-17(32)27(2)23-10-26-31(16-23)24(33)30-14-19-12-28(13-20(19)15-30)11-18-7-21(25)9-22(8-18)29-5-3-4-6-29;1-13(28)24(2)18-6-23-27(12-18)20(29)26-10-15-8-25(9-16(15)11-26)7-14-3-4-17(21)5-19(14)22;1-13(28)24(2)16-6-23-27(11-16)20(29)26-9-14-7-25(8-15(14)10-26)12-17-18(21)4-3-5-19(17)22/h7-10,16,19-20H,3-6,11-15H2,1-2H3;7-10,16,19-20H,3-6,11-15H2,1-2H3;7-10,16,19-20H,3-6,11-15H2,1-2H3;3-6,12,15-16H,7-11H2,1-2H3;3-6,11,14-15H,7-10,12H2,1-2H3.

What are the key properties of N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide?

N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 2368.80 g/mol, XLogP of 15.83, 18 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(2,6-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-methyl-N-[1-[2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide;N-methyl-N-[1-[2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 159881363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).