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

C26H23ClN4O3 — CID 55710038

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

1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 55710038) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
• PubChem CID: 55710038
• Molecular Formula: C26H23ClN4O3
• Molecular Weight: 474.95 g/mol
• Exact Mass: 474.15
• IUPAC Name: 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
• SMILES: O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
• InChI: InChI=1S/C26H23ClN4O3/c27-20-8-4-9-21(15-20)31-23(24-10-5-13-34-24)16-22(29-31)25(32)28-17-18-6-3-7-19(14-18)26(33)30-11-1-2-12-30/h3-10,13-16H,1-2,11-12,17H2,(H,28,32)
• InChIKey: AWRLGCSWNXGVQI-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.95
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide (CID 55710038) is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide is O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.

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

The InChIKey is AWRLGCSWNXGVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c27-20-8-4-9-21(15-20)31-23(24-10-5-13-34-24)16-22(29-31)25(32)28-17-18-6-3-7-19(14-18)26(33)30-11-1-2-12-30/h3-10,13-16H,1-2,11-12,17H2,(H,28,32).

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

1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55710038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).