[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide

C41H45Cl2F3N10O4 — CID 145315921

About [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide

[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide (PubChem CID 145315921) has the molecular formula C41H45Cl2F3N10O4 and a molecular weight of 869.78 g/mol. Its IUPAC name is [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide
• PubChem CID: 145315921
• Molecular Formula: C41H45Cl2F3N10O4
• Molecular Weight: 869.78 g/mol
• Exact Mass: 868.30
• IUPAC Name: [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide
• SMILES: NC(=O)c1cnn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)c1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)c1)N1CCCC1
• InChI: InChI=1S/C22H25Cl2N5O2.C19H20F3N5O2/c23-19-3-4-20(24)15(7-19)9-26-10-17-12-28(13-18(17)11-26)22(31)29-14-16(8-25-29)21(30)27-5-1-2-6-27;20-19(21,22)16-3-1-2-12(4-16)6-25-7-14-9-26(10-15(14)8-25)18(29)27-11-13(5-24-27)17(23)28/h3-4,7-8,14,17-18H,1-2,5-6,9-13H2;1-5,11,14-15H,6-10H2,(H2,23,28)
• InChIKey: XXSOJYTUGZVSCT-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 146.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.78
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide?

The IUPAC name of [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide (CID 145315921) is [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide.

What is the SMILES notation for [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide?

The canonical SMILES for [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide is NC(=O)c1cnn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)c1.O=C(c1cnn(C(=O)N2CC3CN(Cc4cc(Cl)ccc4Cl)CC3C2)c1)N1CCCC1.

What is the InChIKey of [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide?

The InChIKey is XXSOJYTUGZVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O2.C19H20F3N5O2/c23-19-3-4-20(24)15(7-19)9-26-10-17-12-28(13-18(17)11-26)22(31)29-14-16(8-25-29)21(30)27-5-1-2-6-27;20-19(21,22)16-3-1-2-12(4-16)6-25-7-14-9-26(10-15(14)8-25)18(29)27-11-13(5-24-27)17(23)28/h3-4,7-8,14,17-18H,1-2,5-6,9-13H2;1-5,11,14-15H,6-10H2,(H2,23,28).

What are the key properties of [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide?

[1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide has a molecular weight of 869.78 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[(2,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazole-4-carboxamide is sourced from PubChem (CID 145315921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).