ChemSpider 2D Image | 2-[{[3-(2-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]ethanol | C21H23ClFN3O

2-[{[3-(2-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]ethanol

  • Molecular FormulaC21H23ClFN3O
  • Average mass387.878 Da
  • Monoisotopic mass387.151367 Da
  • ChemSpider ID22146482

More details:

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

2-[{[3-(2-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]ethanol [ACD/IUPAC Name]
2-[{[3-(2-Chlorophényl)-1-(4-fluorophényl)-1H-pyrazol-4-yl]méthyl}(isopropyl)amino]éthanol [French] [ACD/IUPAC Name]
2-[{[3-(2-Chlorphenyl)-1-(4-fluorphenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl](1-methylethyl)amino]- [ACD/Index Name]
2-({[3-(2-CHLOROPHENYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}(PROPAN-2-YL)AMINO)ETHAN-1-OL
2-({[3-(2-CHLOROPHENYL)-1-(4-FLUOROPHENYL)PYRAZOL-4-YL]METHYL}(ISOPROPYL)AMINO)ETHANOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.5±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 25.36
ACD/KOC (pH 5.5): 108.63
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 875.73
ACD/KOC (pH 7.4): 3750.36
Polar Surface Area: 41 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 319.0±7.0 cm3

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