ChemSpider 2D Image | 5-Amino-1-(trifluoroacetyl)-1H-pyrazole-4-carbonitrile | C6H3F3N4O

5-Amino-1-(trifluoroacetyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC6H3F3N4O
  • Average mass204.109 Da
  • Monoisotopic mass204.025894 Da
  • ChemSpider ID32143155

More details:

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

1H-Pyrazole-4-carbonitrile, 5-amino-1-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
5-Amino-1-(2,2,2-trifluoroacétyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-Amino-1-(trifluoracetyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-1-(trifluoroacetyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1789536-48-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 310.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 141.8±30.7 °C
Index of Refraction: 1.566
Molar Refractivity: 39.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 52.02
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 52.02
Polar Surface Area: 85 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 121.1±7.0 cm3

Click to predict properties on the Chemicalize site


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