ChemSpider 2D Image | 5-carbamoyl-1-methylpyrazole-3-carboxylic acid | C6H7N3O3

5-carbamoyl-1-methylpyrazole-3-carboxylic acid

  • Molecular FormulaC6H7N3O3
  • Average mass169.138 Da
  • Monoisotopic mass169.048737 Da
  • ChemSpider ID24751428

More details:

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

1174878-96-6 [RN]
1H-Pyrazole-3-carboxylic acid, 5-(aminocarbonyl)-1-methyl- [ACD/Index Name]
5-Carbamoyl-1-methyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Carbamoyl-1-methyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
5-carbamoyl-1-methylpyrazole-3-carboxylic acid
Acide 5-carbamoyl-1-méthyl-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
5-(aminocarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid
AGN-PC-07JTOW
AKOS005168943
MCULE-9199451563
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 454.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 228.9±24.6 °C
    Index of Refraction: 1.673
    Molar Refractivity: 38.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.76
    ACD/LogD (pH 5.5): -2.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 15.4±0.5 10-24cm3
    Surface Tension: 71.3±7.0 dyne/cm
    Molar Volume: 103.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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