ChemSpider 2D Image | Methyl {(4E)-1-(4-fluorophenyl)-5-oxo-4-[1-(3-pyridinylamino)ethylidene]-4,5-dihydro-1H-pyrazol-3-yl}acetate | C19H17FN4O3

Methyl {(4E)-1-(4-fluorophenyl)-5-oxo-4-[1-(3-pyridinylamino)ethylidene]-4,5-dihydro-1H-pyrazol-3-yl}acetate

  • Molecular FormulaC19H17FN4O3
  • Average mass368.362 Da
  • Monoisotopic mass368.128479 Da
  • ChemSpider ID28279033

  • Double-bond stereo - Double-bond stereo

More details:

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

{(4E)-1-(4-Fluorophényl)-5-oxo-4-[1-(3-pyridinylamino)éthylidène]-4,5-dihydro-1H-pyrazol-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 1-(4-fluorophenyl)-4,5-dihydro-5-oxo-4-[1-(3-pyridinylamino)ethylidene]-, methyl ester, (4E)- [ACD/Index Name]
Methyl {(4E)-1-(4-fluorophenyl)-5-oxo-4-[1-(3-pyridinylamino)ethylidene]-4,5-dihydro-1H-pyrazol-3-yl}acetate [ACD/IUPAC Name]
Methyl-{(4E)-1-(4-fluorphenyl)-5-oxo-4-[1-(3-pyridinylamino)ethyliden]-4,5-dihydro-1H-pyrazol-3-yl}acetat [German] [ACD/IUPAC Name]
methyl {(4E)-1-(4-fluorophenyl)-5-oxo-4-[1-(pyridin-3-ylamino)ethylidene]-4,5-dihydro-1H-pyrazol-3-yl}acetate
METHYL 2-[(4E)-1-(4-FLUOROPHENYL)-5-OXO-4-[1-(PYRIDIN-3-YLAMINO)ETHYLIDENE]PYRAZOL-3-YL]ACETATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.1±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.20
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.24
ACD/KOC (pH 7.4): 168.37
Polar Surface Area: 84 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 280.0±7.0 cm3

Click to predict properties on the Chemicalize site


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