ChemSpider 2D Image | 3-(4-{[1-(2-Fluorobenzyl)-5-isopropyl-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)-6-(2-methyl-2-propanyl)-1,2,4-triazin-5(4H)-one | C25H32FN7O2

3-(4-{[1-(2-Fluorobenzyl)-5-isopropyl-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)-6-(2-methyl-2-propanyl)-1,2,4-triazin-5(4H)-one

  • Molecular FormulaC25H32FN7O2
  • Average mass481.566 Da
  • Monoisotopic mass481.260162 Da
  • ChemSpider ID67045266

More details:

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

1,2,4-Triazin-5(4H)-one, 6-(1,1-dimethylethyl)-3-[4-[[1-[(2-fluorophenyl)methyl]-5-(1-methylethyl)-1H-pyrazol-3-yl]carbonyl]-1-piperazinyl]- [ACD/Index Name]
3-(4-{[1-(2-Fluorbenzyl)-5-isopropyl-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)-6-(2-methyl-2-propanyl)-1,2,4-triazin-5(4H)-on [German] [ACD/IUPAC Name]
3-(4-{[1-(2-Fluorobenzyl)-5-isopropyl-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)-6-(2-methyl-2-propanyl)-1,2,4-triazin-5(4H)-one [ACD/IUPAC Name]
3-(4-{[1-(2-Fluorobenzyl)-5-isopropyl-1H-pyrazol-3-yl]carbonyl}-1-pipérazinyl)-6-(2-méthyl-2-propanyl)-1,2,4-triazin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 132.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.84
ACD/KOC (pH 5.5): 190.87
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.71
ACD/KOC (pH 7.4): 188.61
Polar Surface Area: 95 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 370.2±7.0 cm3

Click to predict properties on the Chemicalize site


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