ChemSpider 2D Image | ETHYL 4-(4-CARBAMOYL-3-NITROPYRAZOL-1-YL)BUTANOATE | C10H14N4O5

ETHYL 4-(4-CARBAMOYL-3-NITROPYRAZOL-1-YL)BUTANOATE

  • Molecular FormulaC10H14N4O5
  • Average mass270.242 Da
  • Monoisotopic mass270.096405 Da
  • ChemSpider ID32843913

More details:

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

1855890-12-8 [RN]
1H-Pyrazole-1-butanoic acid, 4-(aminocarbonyl)-3-nitro-, ethyl ester [ACD/Index Name]
4-(4-Carbamoyl-3-nitro-1H-pyrazol-1-yl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-carbamoyl-3-nitro-1H-pyrazol-1-yl)butanoate [ACD/IUPAC Name]
ETHYL 4-(4-CARBAMOYL-3-NITROPYRAZOL-1-YL)BUTANOATE
Ethyl-4-(4-carbamoyl-3-nitro-1H-pyrazol-1-yl)butanoat [German] [ACD/IUPAC Name]
4-(4-Carbamoyl-3-nitro-pyrazol-1-yl)-butyric acid ethyl ester
ethyl 4-[4-(aminocarbonyl)-3-nitro-1H-pyrazol-1-yl]butanoate
MFCD28969805

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 458.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.9±3.0 kJ/mol
    Flash Point: 231.0±25.9 °C
    Index of Refraction: 1.612
    Molar Refractivity: 63.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: -0.27
    ACD/LogD (pH 5.5): -0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 20.12
    ACD/LogD (pH 7.4): -0.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 20.12
    Polar Surface Area: 133 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 62.8±7.0 dyne/cm
    Molar Volume: 183.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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