ChemSpider 2D Image | 2-[4-{[1-(2-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(2-methylbenzyl)-2-piperazinyl]ethanol | C24H29FN4O

2-[4-{[1-(2-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(2-methylbenzyl)-2-piperazinyl]ethanol

  • Molecular FormulaC24H29FN4O
  • Average mass408.512 Da
  • Monoisotopic mass408.232544 Da
  • ChemSpider ID22163253

More details:

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

2-[4-{[1-(2-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(2-methylbenzyl)-2-piperazinyl]ethanol [ACD/IUPAC Name]
2-[4-{[1-(2-Fluorophényl)-1H-pyrazol-4-yl]méthyl}-1-(2-méthylbenzyl)-2-pipérazinyl]éthanol [French] [ACD/IUPAC Name]
2-[4-{[1-(2-Fluorphenyl)-1H-pyrazol-4-yl]methyl}-1-(2-methylbenzyl)-2-piperazinyl]ethanol [German] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]- [ACD/Index Name]
2-(4-{[1-(2-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}-1-[(2-METHYLPHENYL)METHYL]PIPERAZIN-2-YL)ETHAN-1-OL
2-(4-{[1-(2-FLUOROPHENYL)PYRAZOL-4-YL]METHYL}-1-[(2-METHYLPHENYL)METHYL]PIPERAZIN-2-YL)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: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.4±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 25.85
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 53.16
ACD/KOC (pH 7.4): 548.38
Polar Surface Area: 45 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 341.0±7.0 cm3

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