N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide

C24H16F5N3O — CID 42691492

About N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide

N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide (PubChem CID 42691492) has the molecular formula C24H16F5N3O and a molecular weight of 457.40 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
• PubChem CID: 42691492
• Molecular Formula: C24H16F5N3O
• Molecular Weight: 457.40 g/mol
• Exact Mass: 457.12
• IUPAC Name: N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
• SMILES: O=C(NCc1ccc(F)cc1F)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1
• InChI: InChI=1S/C24H16F5N3O/c25-19-9-8-17(20(26)11-19)13-30-23(33)15-6-4-14(5-7-15)21-12-22(32-31-21)16-2-1-3-18(10-16)24(27,28)29/h1-12H,13H2,(H,30,33)(H,31,32)
• InChIKey: BUFFQWSGAJPQOK-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.40
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide?

The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide (CID 42691492) is N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide.

What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide?

The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide is O=C(NCc1ccc(F)cc1F)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1.

What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide?

The InChIKey is BUFFQWSGAJPQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5N3O/c25-19-9-8-17(20(26)11-19)13-30-23(33)15-6-4-14(5-7-15)21-12-22(32-31-21)16-2-1-3-18(10-16)24(27,28)29/h1-12H,13H2,(H,30,33)(H,31,32).

What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide?

N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide has a molecular weight of 457.40 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-difluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 42691492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).