ChemSpider 2D Image | 3-[5-(5-Ethyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid | C11H14N4O3

3-[5-(5-Ethyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid

  • Molecular FormulaC11H14N4O3
  • Average mass250.254 Da
  • Monoisotopic mass250.106583 Da
  • ChemSpider ID27444401

More details:

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

1,3,4-Oxadiazole-2-propanoic acid, 5-(5-ethyl-1-methyl-1H-pyrazol-3-yl)- [ACD/Index Name]
1365962-65-7 [RN]
3-[5-(5-Ethyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid [ACD/IUPAC Name]
3-[5-(5-Ethyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[5-(5-éthyl-1-méthyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoïque [French] [ACD/IUPAC Name]
1,3,4-oxadiazole-2-propanoic acid, 5-(5-ethyl-1-methyl-1H-pyrazol-3-yl)
3-(5-(5-Ethyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl)propanoic acid
3-[5-(5-ethyl-1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
MFCD22056538 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 493.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.1±3.0 kJ/mol
    Flash Point: 252.1±31.5 °C
    Index of Refraction: 1.643
    Molar Refractivity: 64.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.89
    ACD/LogD (pH 5.5): -1.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.19
    ACD/LogD (pH 7.4): -2.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 94 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 53.4±7.0 dyne/cm
    Molar Volume: 177.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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