ChemSpider 2D Image | 5-Carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid | C11H10FN3O3

5-Carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC11H10FN3O3
  • Average mass251.214 Da
  • Monoisotopic mass251.070618 Da
  • ChemSpider ID21763747

More details:

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

1152880-87-9 [RN]
1H-Pyrazole-3-carboxylic acid, 5-(aminocarbonyl)-1-(4-fluorophenyl)-4,5-dihydro- [ACD/Index Name]
5-Carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
5-Carbamoyl-1-(4-fluorphenyl)-4,5-dihydro-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-carbamoyl-1-(4-fluorophényl)-4,5-dihydro-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
5-(aminocarbonyl)-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
MFCD09863317 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 542.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 281.9±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 159.8±7.0 cm3

Click to predict properties on the Chemicalize site


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