2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide

• ChemBase ID: 748384
• Molecular Formular: C15H19FN4O
• Molecular Mass: 290.3359632
• Monoisotopic Mass: 290.15428947
• SMILES: c1(c([nH]nc1C)C)C(C(=O)NCCc1c(F)cccc1)N
• Canonical SMILES: Fc1ccccc1CCNC(=O)C(c1c(C)n[nH]c1C)N
• InChI: InChI=1S/C15H19FN4O/c1-9-13(10(2)20-19-9)14(17)15(21)18-8-7-11-5-3-4-6-12(11)16/h3-6,14H,7-8,17H2,1-2H3,(H,18,21)(H,19,20)
• InChIKey: YUCGWTJNBKCJTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
• IUPAC Traditional name: 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
• Synonyms: 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.366867
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.8642273
• LogD (pH = 7.4): 0.7036705
• Log P: 0.996639
• Molar Refractivity: 80.0928 cm^3
• Polarizability: 30.024017 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.79
• LOG S: -1.99
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 5