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

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

  • Molecular FormulaC17H18FN3O3
  • Average mass331.341 Da
  • Monoisotopic mass331.133209 Da
  • ChemSpider ID27325590

More details:






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

3-{[1-(4-Fluorbenzyl)-1H-pyrazol-3-yl]carbamoyl}-2,2-dimethylcyclopropancarbonsäure [German] [ACD/IUPAC Name]
3-{[1-(4-Fluorobenzyl)-1H-pyrazol-3-yl]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 3-{[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]carbamoyl}-2,2-diméthylcyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-[[[1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]amino]carbonyl]-2,2-dimethyl- [ACD/Index Name]
1324056-65-6 [RN]
3-((1-(4-fluorobenzyl)-1H-pyrazol-3(2H)-ylidene)carbamoyl)-2,2-dimethylcyclopropanecarboxylic acid
3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
3-[1-(4-Fluoro-benzyl)-1H-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: 599.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.4±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 29.09
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 239.3±7.0 cm3

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