1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide

C20H21ClN4O3 — CID 17491464

About 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide (PubChem CID 17491464) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
• PubChem CID: 17491464
• Molecular Formula: C20H21ClN4O3
• Molecular Weight: 400.87 g/mol
• Exact Mass: 400.13
• IUPAC Name: 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
• SMILES: CCCNC(=O)C(C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C20H21ClN4O3/c1-3-10-22-19(26)13(2)23-20(27)16-12-17(18-5-4-11-28-18)25(24-16)15-8-6-14(21)7-9-15/h4-9,11-13H,3,10H2,1-2H3,(H,22,26)(H,23,27)
• InChIKey: ZXZVOJXSSXIDQX-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 89.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.87
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide (CID 17491464) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide is CCCNC(=O)C(C)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.

What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide?

The InChIKey is ZXZVOJXSSXIDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-3-10-22-19(26)13(2)23-20(27)16-12-17(18-5-4-11-28-18)25(24-16)15-8-6-14(21)7-9-15/h4-9,11-13H,3,10H2,1-2H3,(H,22,26)(H,23,27).

What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide?

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 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-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 17491464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).