ChemSpider 2D Image | 2-[{[3-(3-Fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]ethanol | C22H26FN3O

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

  • Molecular FormulaC22H26FN3O
  • Average mass367.460 Da
  • Monoisotopic mass367.205994 Da
  • ChemSpider ID22194947

More details:

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

2-[{[3-(3-Fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]ethanol [ACD/IUPAC Name]
2-[{[3-(3-Fluorophényl)-1-(3-méthylphényl)-1H-pyrazol-4-yl]méthyl}(isopropyl)amino]éthanol [French] [ACD/IUPAC Name]
2-[{[3-(3-Fluorphenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl](1-methylethyl)amino]- [ACD/Index Name]
2-({[3-(3-FLUOROPHENYL)-1-(3-METHYLPHENYL)-1H-PYRAZOL-4-YL]METHYL}(PROPAN-2-YL)AMINO)ETHAN-1-OL
2-({[3-(3-FLUOROPHENYL)-1-(3-METHYLPHENYL)PYRAZOL-4-YL]METHYL}(ISOPROPYL)AMINO)ETHANOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 524.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.7±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 19.45
ACD/KOC (pH 5.5): 77.39
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 844.94
ACD/KOC (pH 7.4): 3361.23
Polar Surface Area: 41 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 325.0±7.0 cm3

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