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

C25H24FN3O3 — CID 19411192

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

5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 19411192) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19411192
• Molecular Formula: C25H24FN3O3
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.18
• IUPAC Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
• SMILES: Cc1cccc(C)c1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3F)n2)o1
• InChI: InChI=1S/C25H24FN3O3/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: AZVHZUIDGWFDQV-UHFFFAOYSA-N
• XLogP: 5.42
• 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	433.48
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 19411192) is 5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide is Cc1cccc(C)c1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3F)n2)o1.

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

The InChIKey is AZVHZUIDGWFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/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 5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?

5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19411192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).