ChemSpider 2D Image | Methyl 5-[(difluoroacetyl)amino]-1,3-dimethyl-1H-pyrazole-4-carboxylate | C9H11F2N3O3

Methyl 5-[(difluoroacetyl)amino]-1,3-dimethyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC9H11F2N3O3
  • Average mass247.199 Da
  • Monoisotopic mass247.076843 Da
  • ChemSpider ID64928345

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[(2,2-difluoroacetyl)amino]-1,3-dimethyl-, methyl ester [ACD/Index Name]
5-[(2,2-Difluoroacétyl)amino]-1,3-diméthyl-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(difluoroacetyl)amino]-1,3-dimethyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-[(difluoracetyl)amino]-1,3-dimethyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 384.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.0±27.9 °C
Index of Refraction: 1.533
Molar Refractivity: 53.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.26
ACD/KOC (pH 5.5): 129.31
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.24
ACD/KOC (pH 7.4): 128.88
Polar Surface Area: 73 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 37.4±7.0 dyne/cm
Molar Volume: 173.5±7.0 cm3

Click to predict properties on the Chemicalize site


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