N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide

C26H20F5N3O — CID 123902147

About N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide

N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide (PubChem CID 123902147) has the molecular formula C26H20F5N3O and a molecular weight of 485.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
• PubChem CID: 123902147
• Molecular Formula: C26H20F5N3O
• Molecular Weight: 485.46 g/mol
• Exact Mass: 485.15
• IUPAC Name: N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
• SMILES: O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(C(F)(F)F)cc2)n1)NCc1cccc(F)c1
• InChI: InChI=1S/C26H20F5N3O/c27-20-5-1-3-17(13-20)16-32-25(35)12-9-22-15-24(18-4-2-6-21(28)14-18)34(33-22)23-10-7-19(8-11-23)26(29,30)31/h1-8,10-11,13-15H,9,12,16H2,(H,32,35)
• InChIKey: QYMPMYKNQDKCBT-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.46
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide?

The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide (CID 123902147) is N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide.

What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide?

The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide is O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(C(F)(F)F)cc2)n1)NCc1cccc(F)c1.

What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide?

The InChIKey is QYMPMYKNQDKCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5N3O/c27-20-5-1-3-17(13-20)16-32-25(35)12-9-22-15-24(18-4-2-6-21(28)14-18)34(33-22)23-10-7-19(8-11-23)26(29,30)31/h1-8,10-11,13-15H,9,12,16H2,(H,32,35).

What are the key properties of N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide?

N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide has a molecular weight of 485.46 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 123902147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).