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

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

  • Molecular FormulaC21H29FN4O
  • Average mass372.480 Da
  • Monoisotopic mass372.232544 Da
  • ChemSpider ID22213816

More details:

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

2-[4-{[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-methyl-2-buten-1-yl)-2-piperazinyl]ethanol [ACD/IUPAC Name]
2-[4-{[3-(3-Fluorophényl)-1H-pyrazol-4-yl]méthyl}-1-(3-méthyl-2-butén-1-yl)-2-pipérazinyl]éthanol [French] [ACD/IUPAC Name]
2-[4-{[3-(3-Fluorphenyl)-1H-pyrazol-4-yl]methyl}-1-(3-methyl-2-buten-1-yl)-2-piperazinyl]ethanol [German] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
2-(4-{[3-(3-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}-1-(3-METHYLBUT-2-EN-1-YL)PIPERAZIN-2-YL)ETHAN-1-OL
2-(4-{[3-(3-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}-1-(3-METHYLBUT-2-EN-1-YL)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: 555.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.0±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.57
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 24.97
ACD/KOC (pH 7.4): 309.69
Polar Surface Area: 55 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

Click to predict properties on the Chemicalize site


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