ChemSpider 2D Image | ETHYL 5-CARBAMOYL-1-METHYLPYRAZOLE-4-CARBOXYLATE | C8H11N3O3

ETHYL 5-CARBAMOYL-1-METHYLPYRAZOLE-4-CARBOXYLATE

  • Molecular FormulaC8H11N3O3
  • Average mass197.191 Da
  • Monoisotopic mass197.080048 Da
  • ChemSpider ID29738269

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-methyl-, ethyl ester [ACD/Index Name]
5-Carbamoyl-1-méthyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
81303-52-8 [RN]
ethyl 5-(aminocarbonyl)-1-methyl-1H-pyrazole-4-carboxylate
Ethyl 5-carbamoyl-1-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
ETHYL 5-CARBAMOYL-1-METHYLPYRAZOLE-4-CARBOXYLATE
Ethyl-5-carbamoyl-1-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
2-Hydroxypyrimidine-5-carboxylic acid
2-Hydroxypyrimidine-5-carboxylicacid
5-Carbamoyl-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 380.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.9±3.0 kJ/mol
    Flash Point: 183.9±23.7 °C
    Index of Refraction: 1.586
    Molar Refractivity: 48.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.13
    ACD/LogD (pH 5.5): -0.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.85
    ACD/LogD (pH 7.4): -0.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.85
    Polar Surface Area: 87 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 50.4±7.0 dyne/cm
    Molar Volume: 144.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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