ChemSpider 2D Image | 4-{[3-(3-Chlorophenyl)-1-pyrrolidinyl]methyl}-1-ethyl-1H-pyrazole | C16H20ClN3

4-{[3-(3-Chlorophenyl)-1-pyrrolidinyl]methyl}-1-ethyl-1H-pyrazole

  • Molecular FormulaC16H20ClN3
  • Average mass289.803 Da
  • Monoisotopic mass289.134583 Da
  • ChemSpider ID32075978

More details:

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

1H-Pyrazole, 4-[[3-(3-chlorophenyl)-1-pyrrolidinyl]methyl]-1-ethyl- [ACD/Index Name]
4-{[3-(3-Chlorophenyl)-1-pyrrolidinyl]methyl}-1-ethyl-1H-pyrazole [ACD/IUPAC Name]
4-{[3-(3-Chlorophényl)-1-pyrrolidinyl]méthyl}-1-éthyl-1H-pyrazole [French] [ACD/IUPAC Name]
4-{[3-(3-Chlorphenyl)-1-pyrrolidinyl]methyl}-1-ethyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-{[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl}-1-ethyl-1H-pyrazole
4-{[3-(3-CHLOROPHENYL)PYRROLIDIN-1-YL]METHYL}-1-ETHYLPYRAZOLE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 410.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.8±28.7 °C
Index of Refraction: 1.619
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 5.13
ACD/KOC (pH 7.4): 44.93
Polar Surface Area: 21 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 239.4±7.0 cm3

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