ChemSpider 2D Image | methyl 2-(3-carbamoyl-4-nitropyrazol-1-yl)propanoate | C8H10N4O5

methyl 2-(3-carbamoyl-4-nitropyrazol-1-yl)propanoate

  • Molecular FormulaC8H10N4O5
  • Average mass242.189 Da
  • Monoisotopic mass242.065125 Da
  • ChemSpider ID111855918

More details:

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

1H-Pyrazole-1-acetic acid, 3-(aminocarbonyl)-α-methyl-4-nitro-, methyl ester [ACD/Index Name]
2-(3-Carbamoyl-4-nitro-1H-pyrazol-1-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
2379944-84-8 [RN]
Methyl 2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)propanoate [ACD/IUPAC Name]
methyl 2-(3-carbamoyl-4-nitropyrazol-1-yl)propanoate
Methyl-2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 417.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 206.1±25.9 °C
Index of Refraction: 1.642
Molar Refractivity: 54.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.75
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.75
Polar Surface Area: 133 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 149.9±7.0 cm3

Click to predict properties on the Chemicalize site


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