ChemSpider 2D Image | 3-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]propanoic acid | C20H20N2O4

3-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]propanoic acid

  • Molecular FormulaC20H20N2O4
  • Average mass352.384 Da
  • Monoisotopic mass352.142303 Da
  • ChemSpider ID21801693

More details:

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

1170524-97-6 [RN]
1H-Pyrazole-4-propanoic acid, 3-(2,4-dimethoxyphenyl)-1-phenyl- [ACD/Index Name]
3-[3-(2,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]propanoic acid [ACD/IUPAC Name]
3-[3-(2,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]propansäure [German] [ACD/IUPAC Name]
3-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]propanoic acid
Acide 3-[3-(2,4-diméthoxyphényl)-1-phényl-1H-pyrazol-4-yl]propanoïque [French] [ACD/IUPAC Name]
3-(3-(2,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)propanoic acid

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

MFCD12028373 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 538.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.9±3.0 kJ/mol
    Flash Point: 279.7±30.1 °C
    Index of Refraction: 1.592
    Molar Refractivity: 98.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.26
    ACD/LogD (pH 5.5): 2.46
    ACD/BCF (pH 5.5): 24.45
    ACD/KOC (pH 5.5): 172.82
    ACD/LogD (pH 7.4): 0.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.72
    Polar Surface Area: 74 Å2
    Polarizability: 38.9±0.5 10-24cm3
    Surface Tension: 44.7±7.0 dyne/cm
    Molar Volume: 290.2±7.0 cm3

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