ChemSpider 2D Image | 1-[4-(2-Fluorophenyl)-1-piperazinyl]-3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone | C22H31FN4O

1-[4-(2-Fluorophenyl)-1-piperazinyl]-3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone

  • Molecular FormulaC22H31FN4O
  • Average mass386.506 Da
  • Monoisotopic mass386.248199 Da
  • ChemSpider ID22445817

More details:

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

1-[4-(2-Fluorophenyl)-1-piperazinyl]-3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone [ACD/IUPAC Name]
1-[4-(2-Fluorophényl)-1-pipérazinyl]-3-(1-isobutyl-3,5-diméthyl-1H-pyrazol-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1-[4-(2-Fluorphenyl)-1-piperazinyl]-3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 3-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]-1-[4-(2-fluorophenyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.1±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 422.21
ACD/KOC (pH 5.5): 2628.09
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 426.70
ACD/KOC (pH 7.4): 2656.00
Polar Surface Area: 41 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 334.8±7.0 cm3

Click to predict properties on the Chemicalize site


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