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Search term: LKMQHCMLGYFJTF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Amino-1-{3-[3-(trifluoromethyl)phenoxy]benzoyl}-1H-pyrazole-4-carbonitrile | C18H11F3N4O2

5-Amino-1-{3-[3-(trifluoromethyl)phenoxy]benzoyl}-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC18H11F3N4O2
  • Average mass372.301 Da
  • Monoisotopic mass372.083405 Da
  • ChemSpider ID30086441

More details:

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

1H-Pyrazole-4-carbonitrile, 5-amino-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]- [ACD/Index Name]
5-Amino-1-{3-[3-(trifluormethyl)phenoxy]benzoyl}-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-1-{3-[3-(trifluoromethyl)phenoxy]benzoyl}-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-1-{3-[3-(trifluorométhyl)phénoxy]benzoyl}-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 556.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.5±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.28
ACD/KOC (pH 5.5): 599.04
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 53.28
ACD/KOC (pH 7.4): 599.04
Polar Surface Area: 94 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 263.6±7.0 cm3

Click to predict properties on the Chemicalize site


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