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

C23H20ClN3O3 — CID 19284570

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

5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19284570) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19284570
• Molecular Formula: C23H20ClN3O3
• Molecular Weight: 421.88 g/mol
• Exact Mass: 421.12
• IUPAC Name: 5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• SMILES: Cc1ccc(Cn2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4)o3)n2)cc1
• InChI: InChI=1S/C23H20ClN3O3/c1-16-2-4-17(5-3-16)14-27-13-12-22(26-27)25-23(28)21-11-10-20(30-21)15-29-19-8-6-18(24)7-9-19/h2-13H,14-15H2,1H3,(H,25,26,28)
• InChIKey: BECXYKHQZYGVPD-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.88
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19284570) is 5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4)o3)n2)cc1.

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

The InChIKey is BECXYKHQZYGVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-16-2-4-17(5-3-16)14-27-13-12-22(26-27)25-23(28)21-11-10-20(30-21)15-29-19-8-6-18(24)7-9-19/h2-13H,14-15H2,1H3,(H,25,26,28).

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

5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 421.88 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19284570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).