ChemSpider 2D Image | 3-(4-Fluorophenyl)-1-methyl-N-(2-{[6-(3-pyridinylamino)-3-pyridazinyl]amino}ethyl)-1H-pyrazole-5-carboxamide | C22H21FN8O

3-(4-Fluorophenyl)-1-methyl-N-(2-{[6-(3-pyridinylamino)-3-pyridazinyl]amino}ethyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC22H21FN8O
  • Average mass432.453 Da
  • Monoisotopic mass432.182251 Da
  • ChemSpider ID58497169

More details:

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

1H-Pyrazole-5-carboxamide, 3-(4-fluorophenyl)-1-methyl-N-[2-[[6-(3-pyridinylamino)-3-pyridazinyl]amino]ethyl]- [ACD/Index Name]
3-(4-Fluorophenyl)-1-methyl-N-(2-{[6-(3-pyridinylamino)-3-pyridazinyl]amino}ethyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
3-(4-Fluorophényl)-1-méthyl-N-(2-{[6-(3-pyridinylamino)-3-pyridazinyl]amino}éthyl)-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
3-(4-Fluorphenyl)-1-methyl-N-(2-{[6-(3-pyridinylamino)-3-pyridazinyl]amino}ethyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
3-(4-fluorophenyl)-1-methyl-N-(2-((6-(pyridin-3-ylamino)pyridazin-3-yl)amino)ethyl)-1H-pyrazole-5-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 773.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 421.6±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 65.98
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.55
ACD/KOC (pH 7.4): 256.52
Polar Surface Area: 110 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement