ChemSpider 2D Image | [3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-yl]{4-[6-(1H-pyrazol-1-yl)-3-pyridazinyl]-1-piperazinyl}methanone | C22H21FN8O

[3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-yl]{4-[6-(1H-pyrazol-1-yl)-3-pyridazinyl]-1-piperazinyl}methanone

  • Molecular FormulaC22H21FN8O
  • Average mass432.453 Da
  • Monoisotopic mass432.182251 Da
  • ChemSpider ID58392172

More details:

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

[3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-yl]{4-[6-(1H-pyrazol-1-yl)-3-pyridazinyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[3-(4-Fluorophényl)-1-méthyl-1H-pyrazol-5-yl]{4-[6-(1H-pyrazol-1-yl)-3-pyridazinyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
[3-(4-Fluorphenyl)-1-methyl-1H-pyrazol-5-yl]{4-[6-(1H-pyrazol-1-yl)-3-pyridazinyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl][4-[6-(1H-pyrazol-1-yl)-3-pyridazinyl]-1-piperazinyl]- [ACD/Index Name]
(4-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)piperazin-1-yl)(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 725.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.8±32.9 °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: -0.91
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.18
ACD/KOC (pH 5.5): 126.22
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 133.44
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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