ChemSpider 2D Image | N'-[4-Cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-5-carboximidamide | C18H19F6N5

N'-[4-Cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-5-carboximidamide

  • Molecular FormulaC18H19F6N5
  • Average mass419.367 Da
  • Monoisotopic mass419.154480 Da
  • ChemSpider ID23293375

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-5-carboximidamide, N'-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-4,5-dihydro-5-methyl-3-(trifluoromethyl)- [ACD/Index Name]
N'-[4-Cyan-3-(trifluormethyl)phenyl]-N,N-diethyl-5-methyl-3-(trifluormethyl)-4,5-dihydro-1H-pyrazol-5-carboximidamid [German] [ACD/IUPAC Name]
N'-[4-Cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-5-carboximidamide [ACD/IUPAC Name]
N'-[4-Cyano-3-(trifluorométhyl)phényl]-N,N-diéthyl-5-méthyl-3-(trifluorométhyl)-4,5-dihydro-1H-pyrazole-5-carboximidamide [French] [ACD/IUPAC Name]
(Z)-N'-(4-cyano-3-(trifluoromethyl)phenyl)-N,N-diethyl-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-5-carboxamidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 219.0±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 95.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 326.74
ACD/KOC (pH 5.5): 1011.99
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4115.81
ACD/KOC (pH 7.4): 12747.50
Polar Surface Area: 64 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 33.3±7.0 dyne/cm
Molar Volume: 317.8±7.0 cm3

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