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

C25H25N3O3 — CID 19450787

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

5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19450787) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19450787
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: Cc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4ccccc4C)c3)o2)cc1C
• InChI: InChI=1S/C25H25N3O3/c1-17-8-9-22(12-19(17)3)30-16-23-10-11-24(31-23)25(29)27-21-13-26-28(15-21)14-20-7-5-4-6-18(20)2/h4-13,15H,14,16H2,1-3H3,(H,27,29)
• InChIKey: FFTPLASTKPOOFN-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19450787) is 5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4ccccc4C)c3)o2)cc1C.

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

The InChIKey is FFTPLASTKPOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-8-9-22(12-19(17)3)30-16-23-10-11-24(31-23)25(29)27-21-13-26-28(15-21)14-20-7-5-4-6-18(20)2/h4-13,15H,14,16H2,1-3H3,(H,27,29).

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

5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19450787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).