4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C26H24FN3O2 — CID 19410058

About 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19410058) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
• PubChem CID: 19410058
• Molecular Formula: C26H24FN3O2
• Molecular Weight: 429.50 g/mol
• Exact Mass: 429.19
• IUPAC Name: 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
• SMILES: Cc1cccc(C)c1OCc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1
• InChI: InChI=1S/C26H24FN3O2/c1-18-4-3-5-19(2)25(18)32-17-21-6-10-22(11-7-21)26(31)29-24-14-28-30(16-24)15-20-8-12-23(27)13-9-20/h3-14,16H,15,17H2,1-2H3,(H,29,31)
• InChIKey: FGUXUJORDPTPKC-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.50
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?

The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19410058) is 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?

The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is Cc1cccc(C)c1OCc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1.

What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?

The InChIKey is FGUXUJORDPTPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-18-4-3-5-19(2)25(18)32-17-21-6-10-22(11-7-21)26(31)29-24-14-28-30(16-24)15-20-8-12-23(27)13-9-20/h3-14,16H,15,17H2,1-2H3,(H,29,31).

What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?

4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19410058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).