ChemSpider 2D Image | 5,6-Dimethyl-3-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]methyl}amino)-4-pyridazinecarbonitrile | C22H19N7

5,6-Dimethyl-3-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]methyl}amino)-4-pyridazinecarbonitrile

  • Molecular FormulaC22H19N7
  • Average mass381.433 Da
  • Monoisotopic mass381.170197 Da
  • ChemSpider ID65111779

More details:

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

4-Pyridazinecarbonitrile, 5,6-dimethyl-3-[[[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]methyl]amino]- [ACD/Index Name]
5,6-Dimethyl-3-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]methyl}amino)-4-pyridazincarbonitril [German] [ACD/IUPAC Name]
5,6-Dimethyl-3-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]methyl}amino)-4-pyridazinecarbonitrile [ACD/IUPAC Name]
5,6-Diméthyl-3-({[1-phényl-3-(4-pyridinyl)-1H-pyrazol-4-yl]méthyl}amino)-4-pyridazinecarbonitrile [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: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 114.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.36
ACD/KOC (pH 5.5): 1430.25
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.02
ACD/KOC (pH 7.4): 1443.42
Polar Surface Area: 92 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 301.9±7.0 cm3

Click to predict properties on the Chemicalize site


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