ChemSpider 2D Image | Methyl 3-[(Z)-({[5-(4-isopropylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}hydrazono)methyl]-4-nitrobenzoate | C26H25F3N6O5

Methyl 3-[(Z)-({[5-(4-isopropylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}hydrazono)methyl]-4-nitrobenzoate

  • Molecular FormulaC26H25F3N6O5
  • Average mass558.509 Da
  • Monoisotopic mass558.183838 Da
  • ChemSpider ID100624063

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(Z)-({[5-(4-Isopropylphényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}hydrazono)méthyl]-4-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(Z)-({[5-(4-isopropylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}hydrazono)methyl]-4-nitrobenzoate [ACD/IUPAC Name]
Methyl-3-[(Z)-({[5-(4-isopropylphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}hydrazono)methyl]-4-nitrobenzoat [German] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-[4-(1-methylethyl)phenyl]-7-(trifluoromethyl)-, 2-[(1Z)-[5-(methoxycarbonyl)-2-nitrophenyl]methylene]hydrazide [ACD/Index 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: 1.631
Molar Refractivity: 136.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1265.59
ACD/KOC (pH 5.5): 5783.85
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1265.23
ACD/KOC (pH 7.4): 5782.18
Polar Surface Area: 143 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 383.8±7.0 cm3

Click to predict properties on the Chemicalize site


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