5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

C24H20ClN3O4 — CID 19283760

About 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19283760) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19283760
• Molecular Formula: C24H20ClN3O4
• Molecular Weight: 449.89 g/mol
• Exact Mass: 449.11
• IUPAC Name: 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• SMILES: CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(Cl)cc4)n3)o2)cc1
• InChI: InChI=1S/C24H20ClN3O4/c1-16(29)18-4-8-20(9-5-18)31-15-21-10-11-22(32-21)24(30)26-23-12-13-28(27-23)14-17-2-6-19(25)7-3-17/h2-13H,14-15H2,1H3,(H,26,27,30)
• InChIKey: CNABUURQGJEHFH-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 86.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.89
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19283760) is 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(Cl)cc4)n3)o2)cc1.

What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?

The InChIKey is CNABUURQGJEHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-16(29)18-4-8-20(9-5-18)31-15-21-10-11-22(32-21)24(30)26-23-12-13-28(27-23)14-17-2-6-19(25)7-3-17/h2-13H,14-15H2,1H3,(H,26,27,30).

What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?

5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 449.89 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19283760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).