ChemSpider 2D Image | 5-Chloro-3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenyl-1H-pyrazole-4-carboxamide | C19H17ClN4OS

5-Chloro-3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC19H17ClN4OS
  • Average mass384.883 Da
  • Monoisotopic mass384.081146 Da
  • ChemSpider ID21121134

More details:

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

1H-Pyrazole-4-carboxamide, 5-chloro-3-methyl-N-[[(4-methylphenyl)amino]thioxomethyl]-1-phenyl- [ACD/Index Name]
5-Chlor-3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Chloro-3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
5-Chloro-3-méthyl-N-[(4-méthylphényl)carbamothioyl]-1-phényl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC 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: 566.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.4±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 108.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 17.68
ACD/KOC (pH 5.5): 74.68
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.15
Polar Surface Area: 95 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 291.3±7.0 cm3

Click to predict properties on the Chemicalize site


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