N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide

C25H24ClN3O3 — CID 19335203

About N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide

N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19335203) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19335203
• Molecular Formula: C25H24ClN3O3
• Molecular Weight: 449.94 g/mol
• Exact Mass: 449.15
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cccc(C)c1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3Cl)n2)o1
• InChI: InChI=1S/C25H24ClN3O3/c1-16-7-6-8-17(2)24(16)31-15-20-11-12-22(32-20)25(30)27-23-13-18(3)29(28-23)14-19-9-4-5-10-21(19)26/h4-13H,14-15H2,1-3H3,(H,27,28,30)
• InChIKey: OEUXDHYHRPAXII-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.94
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19335203) is N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(C)c1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3Cl)n2)o1.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is OEUXDHYHRPAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-16-7-6-8-17(2)24(16)31-15-20-11-12-22(32-20)25(30)27-23-13-18(3)29(28-23)14-19-9-4-5-10-21(19)26/h4-13H,14-15H2,1-3H3,(H,27,28,30).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?

N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19335203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).