ChemSpider 2D Image | (5-Oxo-1-phenyl-3-pyrrolidinyl)methyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate | C17H17F2N3O3

(5-Oxo-1-phenyl-3-pyrrolidinyl)methyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC17H17F2N3O3
  • Average mass349.332 Da
  • Monoisotopic mass349.123810 Da
  • ChemSpider ID30237119

More details:






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

(5-Oxo-1-phenyl-3-pyrrolidinyl)methyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
(5-Oxo-1-phenyl-3-pyrrolidinyl)methyl-5-(difluormethyl)-1-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 5-(difluoromethyl)-1-methyl-, (5-oxo-1-phenyl-3-pyrrolidinyl)methyl ester [ACD/Index Name]
5-(Difluorométhyl)-1-méthyl-1H-pyrazole-4-carboxylate de (5-oxo-1-phényl-3-pyrrolidinyl)méthyle [French] [ACD/IUPAC Name]
(5-OXO-1-PHENYLPYRROLIDIN-3-YL)METHYL 5-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
(5-OXO-1-PHENYLPYRROLIDIN-3-YL)METHYL 5-(DIFLUOROMETHYL)-1-METHYLPYRAZOLE-4-CARBOXYLATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.7±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.04
ACD/KOC (pH 5.5): 338.88
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.04
ACD/KOC (pH 7.4): 338.88
Polar Surface Area: 64 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 253.0±7.0 cm3

Click to predict properties on the Chemicalize site






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