2-(naphthalen-2-yl)-N-[1-phenyl-2-(1H-pyrazol-1-yl)ethyl]acetamide

• ChemBase ID: 841206
• Molecular Formular: C23H21N3O
• Molecular Mass: 355.43234
• Monoisotopic Mass: 355.16846231
• SMILES: n1(nccc1)CC(NC(=O)Cc1cc2c(cc1)cccc2)c1ccccc1
• Canonical SMILES: O=C(NC(c1ccccc1)Cn1cccn1)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H21N3O/c27-23(16-18-11-12-19-7-4-5-10-21(19)15-18)25-22(17-26-14-6-13-24-26)20-8-2-1-3-9-20/h1-15,22H,16-17H2,(H,25,27)
• InChIKey: BSGQWVLSVZTMLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)-N-[1-phenyl-2-(1H-pyrazol-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(naphthalen-2-yl)-N-[1-phenyl-2-(pyrazol-1-yl)ethyl]acetamide
• Synonyms: 2-(2-naphthyl)-N-[1-phenyl-2-(1H-pyrazol-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.712601
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0308948
• LogD (pH = 7.4): 4.0310235
• Log P: 4.0310254
• Molar Refractivity: 117.8099 cm^3
• Polarizability: 42.471916 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.09
• LOG S: -5.61
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6