ChemSpider 2D Image | 5-(3,4-Dimethylphenyl)-N'-{(Z)-[4-fluoro-3-(pentyloxy)phenyl]methylene}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide | C28H31F4N5O2

5-(3,4-Dimethylphenyl)-N'-{(Z)-[4-fluoro-3-(pentyloxy)phenyl]methylene}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide

  • Molecular FormulaC28H31F4N5O2
  • Average mass545.572 Da
  • Monoisotopic mass545.241394 Da
  • ChemSpider ID100628558

  • Double-bond stereo - Double-bond stereo

More details:

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

5-(3,4-Dimethylphenyl)-N'-{(Z)-[4-fluor-3-(pentyloxy)phenyl]methylen}-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-carbohydrazid [German] [ACD/IUPAC Name]
5-(3,4-Dimethylphenyl)-N'-{(Z)-[4-fluoro-3-(pentyloxy)phenyl]methylene}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide [ACD/IUPAC Name]
5-(3,4-Diméthylphényl)-N'-{(Z)-[4-fluoro-3-(pentyloxy)phényl]méthylène}-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-7-(trifluoromethyl)-, 2-[(1Z)-[4-fluoro-3-(pentyloxy)phenyl]methylene]hydrazide [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 139.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15561.19
ACD/KOC (pH 5.5): 34853.57
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15558.30
ACD/KOC (pH 7.4): 34847.11
Polar Surface Area: 81 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 416.3±7.0 cm3

Click to predict properties on the Chemicalize site


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