ChemSpider 2D Image | 1-({[3-(Trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)cyclopropanecarboxylic acid | C9H8F3N3O3

1-({[3-(Trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)cyclopropanecarboxylic acid

  • Molecular FormulaC9H8F3N3O3
  • Average mass263.173 Da
  • Monoisotopic mass263.051788 Da
  • ChemSpider ID57630983

More details:

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

1-({[3-(Trifluormethyl)-1H-pyrazol-5-yl]carbonyl}amino)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
1-({[3-(Trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 1-({[3-(trifluorométhyl)-1H-pyrazol-5-yl]carbonyl}amino)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1-[[[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl]amino]- [ACD/Index Name]
1-[3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-AMIDO]CYCLOPROPANE-1-CARBOXYLIC ACID
1-[5-(TRIFLUOROMETHYL)-2H-PYRAZOLE-3-AMIDO]CYCLOPROPANE-1-CARBOXYLIC ACID

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

Density: 1.7±0.1 g/cm3
Boiling Point: 526.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.2±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 50.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 157.6±5.0 cm3

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