ChemSpider 2D Image | 4-(5-Amino-4-cyano-1H-pyrazol-1-yl)-N-{4-[(4-benzyl-1-piperazinyl)methyl]phenyl}benzamide | C29H29N7O

4-(5-Amino-4-cyano-1H-pyrazol-1-yl)-N-{4-[(4-benzyl-1-piperazinyl)methyl]phenyl}benzamide

  • Molecular FormulaC29H29N7O
  • Average mass491.587 Da
  • Monoisotopic mass491.243347 Da
  • ChemSpider ID31807641

More details:

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

4-(5-Amino-4-cyan-1H-pyrazol-1-yl)-N-{4-[(4-benzyl-1-piperazinyl)methyl]phenyl}benzamid [German] [ACD/IUPAC Name]
4-(5-Amino-4-cyano-1H-pyrazol-1-yl)-N-{4-[(4-benzyl-1-piperazinyl)methyl]phenyl}benzamide [ACD/IUPAC Name]
4-(5-Amino-4-cyano-1H-pyrazol-1-yl)-N-{4-[(4-benzyl-1-pipérazinyl)méthyl]phényl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(5-amino-4-cyano-1H-pyrazol-1-yl)-N-[4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]- [ACD/Index 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: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.7±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 146.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.96
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 25.95
ACD/KOC (pH 7.4): 318.66
Polar Surface Area: 103 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 388.9±7.0 cm3

Click to predict properties on the Chemicalize site


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