ChemSpider 2D Image | [1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl][4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methanone | C22H21FN8O

[1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl][4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methanone

  • Molecular FormulaC22H21FN8O
  • Average mass432.453 Da
  • Monoisotopic mass432.182251 Da
  • ChemSpider ID33718148

More details:

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

[1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl][4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[1-(4-Fluorophényl)-5-méthyl-1H-pyrazol-4-yl][4-(1-phényl-1H-tétrazol-5-yl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
[1-(4-Fluorphenyl)-5-methyl-1H-pyrazol-4-yl][4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl][4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.2±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.12
ACD/KOC (pH 5.5): 231.57
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.12
ACD/KOC (pH 7.4): 231.59
Polar Surface Area: 85 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 305.2±7.0 cm3

Click to predict properties on the Chemicalize site


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