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Search term: JAAVKHAVUWIKEM (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-(4-{[3-(3-Fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-piperazinyl)ethanol | C23H27FN4O2

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

  • Molecular FormulaC23H27FN4O2
  • Average mass410.484 Da
  • Monoisotopic mass410.211792 Da
  • ChemSpider ID22213258

More details:






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

1-Piperazineethanol, 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]
2-(4-{[3-(3-Fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-piperazinyl)ethanol [ACD/IUPAC Name]
2-(4-{[3-(3-Fluorophényl)-1-(4-méthoxyphényl)-1H-pyrazol-4-yl]méthyl}-1-pipérazinyl)éthanol [French] [ACD/IUPAC Name]
2-(4-{[3-(3-Fluorphenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-piperazinyl)ethanol [German] [ACD/IUPAC Name]
2-(4-{[3-(3-FLUOROPHENYL)-1-(4-METHOXYPHENYL)-1H-PYRAZOL-4-YL]METHYL}PIPERAZIN-1-YL)ETHAN-1-OL
2-(4-{[3-(3-FLUOROPHENYL)-1-(4-METHOXYPHENYL)PYRAZOL-4-YL]METHYL}PIPERAZIN-1-YL)ETHANOL

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 586.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.7±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 115.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 24.05
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 35.00
ACD/KOC (pH 7.4): 414.69
Polar Surface Area: 54 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

Click to predict properties on the Chemicalize site






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