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

2-{4-[(4-Bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}-1-(4-fluorophenyl)ethanone

  • Molecular FormulaC17H18BrFN4O2
  • Average mass409.253 Da
  • Monoisotopic mass408.059723 Da
  • ChemSpider ID25047397

More details:

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

2-{4-[(4-Brom-1-methyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}-1-(4-fluorphenyl)ethanon [German] [ACD/IUPAC Name]
2-{4-[(4-Bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}-1-(4-fluorophenyl)ethanone [ACD/IUPAC Name]
2-{4-[(4-Bromo-1-méthyl-1H-pyrazol-3-yl)carbonyl]-1-pipérazinyl}-1-(4-fluorophényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl]-1-(4-fluorophenyl)- [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: 573.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.30
ACD/KOC (pH 5.5): 129.24
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.42
ACD/KOC (pH 7.4): 131.73
Polar Surface Area: 58 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 266.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement