ChemSpider 2D Image | Diethyl {[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}malonate | C12H17N3O5

Diethyl {[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}malonate

  • Molecular FormulaC12H17N3O5
  • Average mass283.280 Da
  • Monoisotopic mass283.116821 Da
  • ChemSpider ID22554219

More details:

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

{[(1-Méthyl-1H-pyrazol-4-yl)carbonyl]amino}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}malonate [ACD/IUPAC Name]
Diethyl-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino]-, diethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.8±27.3 °C
Index of Refraction: 1.551
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 50.07
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 50.07
Polar Surface Area: 100 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 219.8±7.0 cm3

Click to predict properties on the Chemicalize site


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