ChemSpider 2D Image | Ethyl 2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)propanoate | C9H12N4O5

Ethyl 2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)propanoate

  • Molecular FormulaC9H12N4O5
  • Average mass256.215 Da
  • Monoisotopic mass256.080780 Da
  • ChemSpider ID32846193

More details:

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

1H-Pyrazole-1-acetic acid, 3-(aminocarbonyl)-α-methyl-4-nitro-, ethyl ester [ACD/Index Name]
2-(3-Carbamoyl-4-nitro-1H-pyrazol-1-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)propanoate [ACD/IUPAC Name]
Ethyl-2-(3-carbamoyl-4-nitro-1H-pyrazol-1-yl)propanoat [German] [ACD/IUPAC Name]
1856063-17-6 [RN]
2-(3-Carbamoyl-4-nitro-pyrazol-1-yl)-propionic acid ethyl ester
ETHYL 2-(3-CARBAMOYL-4-NITROPYRAZOL-1-YL)PROPANOATE
ethyl 2-[3-(aminocarbonyl)-4-nitro-1H-pyrazol-1-yl]propanoate
MFCD29060565

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

Density: 1.5±0.1 g/cm3
Boiling Point: 425.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 210.8±25.9 °C
Index of Refraction: 1.626
Molar Refractivity: 58.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.59
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.59
Polar Surface Area: 133 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 166.0±7.0 cm3

Click to predict properties on the Chemicalize site


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