3-(2-fluorophenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-phenyl-N-(propan-2-yl)propanamide

• ChemBase ID: 569746
• Molecular Formular: C23H26FN3O
• Molecular Mass: 379.4704432
• Monoisotopic Mass: 379.20599069
• SMILES: C(=O)(N(Cc1cn(nc1)C)C(C)C)CC(c1c(F)cccc1)c1ccccc1
• Canonical SMILES: Cn1ncc(c1)CN(C(=O)CC(c1ccccc1F)c1ccccc1)C(C)C
• InChI: InChI=1S/C23H26FN3O/c1-17(2)27(16-18-14-25-26(3)15-18)23(28)13-21(19-9-5-4-6-10-19)20-11-7-8-12-22(20)24/h4-12,14-15,17,21H,13,16H2,1-3H3
• InChIKey: WCEPCTHBOMZXIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-phenyl-N-(propan-2-yl)propanamide
• IUPAC Traditional name: 3-(2-fluorophenyl)-N-isopropyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
• Synonyms: 3-(2-fluorophenyl)-N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.185133
• LogD (pH = 7.4): 4.1852126
• Log P: 4.1852136
• Molar Refractivity: 121.1256 cm^3
• Polarizability: 41.826305 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.6
• LOG S: -5.39
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6