ChemSpider 2D Image | 2-(1-Cyclopentyl-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-piperazinyl)ethanol | C21H29FN4O

2-(1-Cyclopentyl-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-piperazinyl)ethanol

  • Molecular FormulaC21H29FN4O
  • Average mass372.480 Da
  • Monoisotopic mass372.232544 Da
  • ChemSpider ID22170417

More details:

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

2-(1-Cyclopentyl-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-piperazinyl)ethanol [ACD/IUPAC Name]
2-(1-Cyclopentyl-4-{[3-(4-fluorophényl)-1H-pyrazol-4-yl]méthyl}-2-pipérazinyl)éthanol [French] [ACD/IUPAC Name]
2-(1-Cyclopentyl-4-{[3-(4-fluorphenyl)-1H-pyrazol-4-yl]methyl}-2-piperazinyl)ethanol [German] [ACD/IUPAC Name]
2-Piperazineethanol, 1-cyclopentyl-4-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]
2-(1-CYCLOPENTYL-4-{[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}PIPERAZIN-2-YL)ETHAN-1-OL
2-(1-CYCLOPENTYL-4-{[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]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: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.81
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 11.16
ACD/KOC (pH 7.4): 156.14
Polar Surface Area: 55 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

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