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

C23H16ClN5O3 — CID 55700375

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

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 55700375) has the molecular formula C23H16ClN5O3 and a molecular weight of 445.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 55700375
• Molecular Formula: C23H16ClN5O3
• Molecular Weight: 445.87 g/mol
• Exact Mass: 445.09
• IUPAC Name: 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide
• SMILES: Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)no1
• InChI: InChI=1S/C23H16ClN5O3/c1-14-25-22(28-32-14)17-5-2-3-6-18(17)26-23(30)19-13-20(21-7-4-12-31-21)29(27-19)16-10-8-15(24)9-11-16/h2-13H,1H3,(H,26,30)
• InChIKey: LYRVNOMFDYWONT-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.87
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide (CID 55700375) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)no1.

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

The InChIKey is LYRVNOMFDYWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O3/c1-14-25-22(28-32-14)17-5-2-3-6-18(17)26-23(30)19-13-20(21-7-4-12-31-21)29(27-19)16-10-8-15(24)9-11-16/h2-13H,1H3,(H,26,30).

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

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 445.87 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55700375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).