ChemSpider 2D Image | Methyl [(4E)-4-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate | C32H32N4O3

Methyl [(4E)-4-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID11709362
  • Double-bond stereo - Double-bond stereo


More details:






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

[(4E)-4-{[3-(Adamantan-1-yl)-1-phényl-1H-pyrazol-4-yl]méthylène}-5-oxo-1-phényl-4,5-dihydro-1H-pyrazol-3-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-1-phenyl-4-[(1-phenyl-3-tricyclo[3.3.1.13,7]dec-1-yl-1H-pyrazol-4-yl)methylene]-, methyl ester, (4E)- [ACD/Index Name]
Methyl [(4E)-4-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate [ACD/IUPAC Name]
Methyl-[(4E)-4-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylen}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetat [German] [ACD/IUPAC Name]
(E)-methyl 2-(4-((3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate
[4-(3-Adamantan-1-yl-1-phenyl-1H-pyrazol-4-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-acetic acid methyl ester
944776-43-6 [RN]
methyl [(4E)-5-oxo-1-phenyl-4-{[1-phenyl-3-(tricyclo[3.3.1.13,7]dec-1-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 672.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 149.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18220.59
ACD/KOC (pH 5.5): 39020.89
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18220.59
ACD/KOC (pH 7.4): 39020.89
Polar Surface Area: 77 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 383.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement