ChemSpider 2D Image | 1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid | C12H17N3O3

1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid

  • Molecular FormulaC12H17N3O3
  • Average mass251.282 Da
  • Monoisotopic mass251.126984 Da
  • ChemSpider ID21468102

More details:






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

1-(5-Methyl-1-propyl-1H-pyrazol-3-yl)-5-oxo-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-(5-Methyl-1-propyl-1H-pyrazol-3-yl)-5-oxo-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
1-(5-Methyl-1-propyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
1172320-01-2 [RN]
3-Pyrrolidinecarboxylic acid, 1-(5-methyl-1-propyl-1H-pyrazol-3-yl)-5-oxo- [ACD/Index Name]
Acide 1-(5-méthyl-1-propyl-1H-pyrazol-3-yl)-5-oxo-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
1-(5-Methyl-1-propyl-1H-pyrazol-3-yl)-5-oxo-pyrrolidine-3-carboxylic acid
QA-9716
VS-05058

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

MFCD09878865 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 552.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.7±3.0 kJ/mol
    Flash Point: 288.2±30.1 °C
    Index of Refraction: 1.630
    Molar Refractivity: 65.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.20
    ACD/LogD (pH 5.5): -0.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.47
    ACD/LogD (pH 7.4): -2.71
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 52.3±7.0 dyne/cm
    Molar Volume: 185.2±7.0 cm3

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