ChemSpider 2D Image | 6-Amino-1-(3,4-dichlorophenyl)-3-ethyl-4-(4-fluorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C21H15Cl2FN4O

6-Amino-1-(3,4-dichlorophenyl)-3-ethyl-4-(4-fluorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC21H15Cl2FN4O
  • Average mass429.274 Da
  • Monoisotopic mass428.060699 Da
  • ChemSpider ID120004025

More details:

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

6-Amino-1-(3,4-dichlorophenyl)-3-ethyl-4-(4-fluorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-1-(3,4-dichlorophényl)-3-éthyl-4-(4-fluorophényl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
6-Amino-1-(3,4-dichlorphenyl)-3-ethyl-4-(4-fluorphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1-(3,4-dichlorophenyl)-3-ethyl-4-(4-fluorophenyl)-1,4-dihydro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 598.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6151.08
ACD/KOC (pH 5.5): 17931.45
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6156.36
ACD/KOC (pH 7.4): 17946.85
Polar Surface Area: 77 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 292.6±7.0 cm3

Click to predict properties on the Chemicalize site


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