ChemSpider 2D Image | 4-({5-[(4-Bromophenyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl}oxy)-3,5-dimethylbenzonitrile | C21H16BrN5O

4-({5-[(4-Bromophenyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl}oxy)-3,5-dimethylbenzonitrile

  • Molecular FormulaC21H16BrN5O
  • Average mass434.289 Da
  • Monoisotopic mass433.053802 Da
  • ChemSpider ID34236426

More details:

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

4-({5-[(4-Bromophenyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl}oxy)-3,5-dimethylbenzonitrile [ACD/IUPAC Name]
4-({5-[(4-Bromophényl)amino]pyrazolo[1,5-a]pyrimidin-7-yl}oxy)-3,5-diméthylbenzonitrile [French] [ACD/IUPAC Name]
4-({5-[(4-Bromphenyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl}oxy)-3,5-dimethylbenzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[5-[(4-bromophenyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]oxy]-3,5-dimethyl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1628.16
ACD/KOC (pH 5.5): 6926.47
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1628.40
ACD/KOC (pH 7.4): 6927.49
Polar Surface Area: 75 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 295.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement