ChemSpider 2D Image | 3-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2-(trifluoromethyl)benzyl]amino}methyl)phenyl]-1H-pyrazole-5-carboxamide | C27H24ClF3N4O3

3-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2-(trifluoromethyl)benzyl]amino}methyl)phenyl]-1H-pyrazole-5-carboxamide

  • Molecular FormulaC27H24ClF3N4O3
  • Average mass544.953 Da
  • Monoisotopic mass544.148926 Da
  • ChemSpider ID23310212

More details:

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

1H-Pyrazole-5-carboxamide, 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-[[[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]- [ACD/Index Name]
3-(5-Chlor-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2-(trifluormethyl)benzyl]amino}methyl)phenyl]-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
3-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2-(trifluoromethyl)benzyl]amino}methyl)phenyl]-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
3-(5-Chloro-2,4-dihydroxyphényl)-N-éthyl-4-[3-({[2-(trifluorométhyl)benzyl]amino}méthyl)phényl]-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
5-(5-chloro-2,4-dihydroxy-phenyl)-4-{3-[(2-trifluoromethyl-benzylamino)-methyl]-phenyl}-2H-pyrazole-3-carboxylic acid ethylamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL429307/
Pyrazole, 20c

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 366.1±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 7.46
ACD/KOC (pH 5.5): 34.64
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 36.15
ACD/KOC (pH 7.4): 167.84
Polar Surface Area: 110 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 393.1±3.0 cm3

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