ChemSpider 2D Image | 2-(3-Methyl-1-piperidinyl)-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate | C19H21ClFN3O3

2-(3-Methyl-1-piperidinyl)-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC19H21ClFN3O3
  • Average mass393.840 Da
  • Monoisotopic mass393.125549 Da
  • ChemSpider ID22461222

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(4-fluorophenyl)-3-methyl-, 2-(3-methyl-1-piperidinyl)-2-oxoethyl ester [ACD/Index Name]
2-(3-Methyl-1-piperidinyl)-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
2-(3-Methyl-1-piperidinyl)-2-oxoethyl-5-chlor-1-(4-fluorphenyl)-3-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
5-Chloro-1-(4-fluorophényl)-3-méthyl-1H-pyrazole-4-carboxylate de 2-(3-méthyl-1-pipéridinyl)-2-oxoéthyle [French] [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: 554.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.4±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 464.87
ACD/KOC (pH 5.5): 2824.09
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 464.87
ACD/KOC (pH 7.4): 2824.09
Polar Surface Area: 64 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 290.6±7.0 cm3

Click to predict properties on the Chemicalize site


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