ChemSpider 2D Image | Ethyl 1-(4-bromophenyl)-3-methyl-5-({[3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-7-yl]carbonyl}amino)-1H-pyrazole-4-carboxylate | C25H22BrN7O3

Ethyl 1-(4-bromophenyl)-3-methyl-5-({[3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-7-yl]carbonyl}amino)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC25H22BrN7O3
  • Average mass548.391 Da
  • Monoisotopic mass547.096741 Da
  • ChemSpider ID122389515

More details:

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

1-(4-Bromophényl)-3-méthyl-5-({[3-(1-méthyl-1H-pyrazol-4-yl)-1H-indazol-7-yl]carbonyl}amino)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-3-methyl-5-[[[3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-7-yl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-bromophenyl)-3-methyl-5-({[3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-7-yl]carbonyl}amino)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-(4-bromphenyl)-3-methyl-5-({[3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-7-yl]carbonyl}amino)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 683.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.2±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2544.16
ACD/KOC (pH 5.5): 9534.15
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2543.31
ACD/KOC (pH 7.4): 9530.94
Polar Surface Area: 120 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 348.1±7.0 cm3

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