4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

C23H20FN3O2S — CID 19469491

About 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 19469491) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
• PubChem CID: 19469491
• Molecular Formula: C23H20FN3O2S
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.13
• IUPAC Name: 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(Cn2cc(NC(=O)c3cc(COc4ccc(F)cc4)cs3)cn2)cc1
• InChI: InChI=1S/C23H20FN3O2S/c1-16-2-4-17(5-3-16)12-27-13-20(11-25-27)26-23(28)22-10-18(15-30-22)14-29-21-8-6-19(24)7-9-21/h2-11,13,15H,12,14H2,1H3,(H,26,28)
• InChIKey: ATCHVGGRNZIRKC-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 56.15 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	421.50
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 19469491) is 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3cc(COc4ccc(F)cc4)cs3)cn2)cc1.

What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The InChIKey is ATCHVGGRNZIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-16-2-4-17(5-3-16)12-27-13-20(11-25-27)26-23(28)22-10-18(15-30-22)14-29-21-8-6-19(24)7-9-21/h2-11,13,15H,12,14H2,1H3,(H,26,28).

What are the key properties of 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19469491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).