ChemSpider 2D Image | 1-(4-{[4-Bromo-5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)ethanone | C17H18BrFN4O2

1-(4-{[4-Bromo-5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)ethanone

  • Molecular FormulaC17H18BrFN4O2
  • Average mass409.253 Da
  • Monoisotopic mass408.059723 Da
  • ChemSpider ID67547654

More details:

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

1-(4-{[4-Brom-5-(4-fluorphenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{[4-Bromo-5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{[4-Bromo-5-(4-fluorophényl)-1-méthyl-1H-pyrazol-3-yl]carbonyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[[4-bromo-5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 601.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.34
ACD/KOC (pH 5.5): 99.61
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 99.61
Polar Surface Area: 58 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 266.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement