ChemSpider 2D Image | 1-(3-Cyano-1-isopropyl-1H-indol-5-yl)-1H-pyrazole-4-carboxylic acid | C16H14N4O2

1-(3-Cyano-1-isopropyl-1H-indol-5-yl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC16H14N4O2
  • Average mass294.308 Da
  • Monoisotopic mass294.111664 Da
  • ChemSpider ID58954780

More details:

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

1-(3-Cyan-1-isopropyl-1H-indol-5-yl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(3-Cyano-1-isopropyl-1H-indol-5-yl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[3-cyano-1-(1-methylethyl)-1H-indol-5-yl]- [ACD/Index Name]
Acide 1-(3-cyano-1-isopropyl-1H-indol-5-yl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1287766-55-5 [RN]
Tigulixostat

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.2±25.9 °C
Index of Refraction: 1.675
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 22.01
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 220.5±7.0 cm3

Click to predict properties on the Chemicalize site


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