ChemSpider 2D Image | 2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N'-{(Z)-[4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-nitrophenyl]methylene}acetohydrazide | C25H22ClF3N6O3

2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N'-{(Z)-[4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-nitrophenyl]methylene}acetohydrazide

  • Molecular FormulaC25H22ClF3N6O3
  • Average mass546.929 Da
  • Monoisotopic mass546.139404 Da
  • ChemSpider ID81923780

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-1-acetic acid, 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-, 2-[(1Z)-[4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-nitrophenyl]methylene]hydrazide [ACD/Index Name]
2-[4-Chlor-5-cyclopropyl-3-(trifluormethyl)-1H-pyrazol-1-yl]-N'-{(Z)-[4-(3,4-dihydro-2(1H)-isochinolinyl)-3-nitrophenyl]methylen}acetohydrazid [German] [ACD/IUPAC Name]
2-[4-Chloro-5-cyclopropyl-3-(trifluorométhyl)-1H-pyrazol-1-yl]-N'-{(Z)-[4-(3,4-dihydro-2(1H)-isoquinoléinyl)-3-nitrophényl]méthylène}acétohydrazide [French] [ACD/IUPAC Name]
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N'-{(Z)-[4-(3,4-dihydro-2(1H)-isoquinolinyl)-3-nitrophenyl]methylene}acetohydrazide [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 133.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11759.87
ACD/KOC (pH 5.5): 28522.04
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11759.83
ACD/KOC (pH 7.4): 28521.95
Polar Surface Area: 108 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 353.6±7.0 cm3

Click to predict properties on the Chemicalize site


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