ChemSpider 2D Image | 3-[5-(5-Isopropyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid | C12H16N4O3

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

  • Molecular FormulaC12H16N4O3
  • Average mass264.280 Da
  • Monoisotopic mass264.122253 Da
  • ChemSpider ID27444400

More details:

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

1,3,4-Oxadiazole-2-propanoic acid, 5-[1-methyl-5-(1-methylethyl)-1H-pyrazol-3-yl]- [ACD/Index Name]
1365962-38-4 [RN]
3-[5-(5-Isopropyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid [ACD/IUPAC Name]
3-[5-(5-Isopropyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propansäure [German] [ACD/IUPAC Name]
3-{5-[1-methyl-5-(propan-2-yl)-1H-pyrazol-3-yl]-1,3,4-oxadiazol-2-yl}propanoic acid
Acide 3-[5-(5-isopropyl-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-[1-methyl-5-(1-methylethyl)-1H-pyrazol-3-yl]
3-(5-(5-Isopropyl-1-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl)propanoic acid
3-[5-(1-methyl-5-propan-2-ylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
MFCD22056537 [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: 480.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 244.1±31.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 68.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.54
    ACD/LogD (pH 5.5): -1.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.31
    ACD/LogD (pH 7.4): -2.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 94 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 49.4±7.0 dyne/cm
    Molar Volume: 192.2±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement