1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide

C26H23ClN4O3 — CID 60610434

About 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide (PubChem CID 60610434) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 60610434
• Molecular Formula: C26H23ClN4O3
• Molecular Weight: 474.95 g/mol
• Exact Mass: 474.15
• IUPAC Name: 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
• SMILES: Cc1c(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cccc1C(=O)N1CCCC1
• InChI: InChI=1S/C26H23ClN4O3/c1-17-20(26(33)30-13-2-3-14-30)6-4-7-21(17)28-25(32)22-16-23(24-8-5-15-34-24)31(29-22)19-11-9-18(27)10-12-19/h4-12,15-16H,2-3,13-14H2,1H3,(H,28,32)
• InChIKey: MUIKSUZJPXPGSC-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.95
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide (CID 60610434) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide is Cc1c(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cccc1C(=O)N1CCCC1.

What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?

The InChIKey is MUIKSUZJPXPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-17-20(26(33)30-13-2-3-14-30)6-4-7-21(17)28-25(32)22-16-23(24-8-5-15-34-24)31(29-22)19-11-9-18(27)10-12-19/h4-12,15-16H,2-3,13-14H2,1H3,(H,28,32).

What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 60610434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).