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Search term: JTKJVXQTBJBPDV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N'-[(Z)-{5-Chloro-2-[3-(1H-imidazol-1-yl)propoxy]phenyl}methylene]-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide | C25H22ClF3N6O3

N'-[(Z)-{5-Chloro-2-[3-(1H-imidazol-1-yl)propoxy]phenyl}methylene]-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide

  • Molecular FormulaC25H22ClF3N6O3
  • Average mass546.929 Da
  • Monoisotopic mass546.139404 Da
  • ChemSpider ID103640486

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carboxylic acid, 1-[[3-(trifluoromethyl)phenoxy]methyl]-, 2-[(1Z)-[5-chloro-2-[3-(1H-imidazol-1-yl)propoxy]phenyl]methylene]hydrazide [ACD/Index Name]
N'-[(Z)-{5-Chlor-2-[3-(1H-imidazol-1-yl)propoxy]phenyl}methylen]-1-{[3-(trifluormethyl)phenoxy]methyl}-1H-pyrazol-3-carbohydrazid [German] [ACD/IUPAC Name]
N'-[(Z)-{5-Chloro-2-[3-(1H-imidazol-1-yl)propoxy]phenyl}methylene]-1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carbohydrazide [ACD/IUPAC Name]
N'-[(Z)-{5-Chloro-2-[3-(1H-imidazol-1-yl)propoxy]phényl}méthylène]-1-{[3-(trifluorométhyl)phénoxy]méthyl}-1H-pyrazole-3-carbohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 30.76
ACD/KOC (pH 5.5): 161.23
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 586.28
ACD/KOC (pH 7.4): 3072.88
Polar Surface Area: 96 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 394.4±7.0 cm3

Click to predict properties on the Chemicalize site


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