ChemSpider 2D Image | 3-(3,5-Dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-{4-[(3-methylbutanoyl)amino]phenyl}-1H-pyrazol-5-yl acetate | C32H35N3O5

3-(3,5-Dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-{4-[(3-methylbutanoyl)amino]phenyl}-1H-pyrazol-5-yl acetate

  • Molecular FormulaC32H35N3O5
  • Average mass541.637 Da
  • Monoisotopic mass541.257690 Da
  • ChemSpider ID22673496

More details:

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

3-(3,5-Dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-{4-[(3-methylbutanoyl)amino]phenyl}-1H-pyrazol-5-yl acetate [ACD/IUPAC Name]
3-(3,5-Dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-{4-[(3-methylbutanoyl)amino]phenyl}-1H-pyrazol-5-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-(3,5-diméthoxyphényl)-1-(2,5-diméthylphényl)-4-{4-[(3-méthylbutanoyl)amino]phényl}-1H-pyrazol-5-yle [French] [ACD/IUPAC Name]
Butanamide, N-[4-[5-(acetyloxy)-3-(3,5-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]phenyl]-3-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.3±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12700.39
ACD/KOC (pH 5.5): 30137.05
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12700.39
ACD/KOC (pH 7.4): 30137.05
Polar Surface Area: 92 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 461.0±7.0 cm3

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