ChemSpider 2D Image | 1-[5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-hydroxy-2-methyl-2-propanyl)amino]ethanone | C22H26FN3O3

1-[5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-hydroxy-2-methyl-2-propanyl)amino]ethanone

  • Molecular FormulaC22H26FN3O3
  • Average mass399.458 Da
  • Monoisotopic mass399.195831 Da
  • ChemSpider ID26040015

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-hydroxy-2-methyl-2-propanyl)amino]ethanone [ACD/IUPAC Name]
1-[5-(4-Fluorophényl)-3-(4-méthoxyphényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-hydroxy-2-méthyl-2-propanyl)amino]éthanone [French] [ACD/IUPAC Name]
1-[5-(4-Fluorphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-hydroxy-2-methyl-2-propanyl)amino]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[5-(4-fluorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-[(2-hydroxy-1,1-dimethylethyl)amino]- [ACD/Index Name]
1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
1-[5-(4-Fluoro-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-2-(2-hydroxy-1,1-dimethyl-ethylamino)-ethanone
1180635-09-9 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 558.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±3.0 kJ/mol
    Flash Point: 291.5±32.9 °C
    Index of Refraction: 1.581
    Molar Refractivity: 109.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.64
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 1.32
    ACD/KOC (pH 5.5): 16.49
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 27.24
    ACD/KOC (pH 7.4): 340.76
    Polar Surface Area: 74 Å2
    Polarizability: 43.3±0.5 10-24cm3
    Surface Tension: 42.2±7.0 dyne/cm
    Molar Volume: 327.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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