ChemSpider 2D Image | 3-{[1-(4-Fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid | C17H18FN3O3

3-{[1-(4-Fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid

  • Molecular FormulaC17H18FN3O3
  • Average mass331.341 Da
  • Monoisotopic mass331.133209 Da
  • ChemSpider ID27329410

More details:






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

3-{[1-(4-Fluorophenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid [ACD/IUPAC Name]
3-{[1-(4-Fluorphenyl)-3-methyl-1H-pyrazol-5-yl]carbamoyl}-2,2-dimethylcyclopropancarbonsäure [German] [ACD/IUPAC Name]
Acide 3-{[1-(4-fluorophényl)-3-méthyl-1H-pyrazol-5-yl]carbamoyl}-2,2-diméthylcyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-[[[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]amino]carbonyl]-2,2-dimethyl- [ACD/Index Name]
1324064-05-2 [RN]
3-((1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl)carbamoyl)-2,2-dimethylcyclopropanecarboxylic acid
3-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
3-[2-(4-Fluoro-phenyl)-5-methyl-2H-pyrazol-3-ylcarbamoyl]-2,2-dimethyl-cyclopropanecarboxylic acid
C17H18FN3O3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.4±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 85.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 41.63
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 238.4±7.0 cm3

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