ChemSpider 2D Image | (6S)-6-[2-(1H-Pyrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | C15H14N4

(6S)-6-[2-(1H-Pyrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

  • Molecular FormulaC15H14N4
  • Average mass250.298 Da
  • Monoisotopic mass250.121841 Da
  • ChemSpider ID24687084

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-[2-(1H-Pyrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol [German] [ACD/IUPAC Name]
(6S)-6-[2-(1H-Pyrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole [ACD/IUPAC Name]
(6S)-6-[2-(1H-Pyrazol-1-yl)phényl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole [French] [ACD/IUPAC Name]
5H-Pyrrolo[1,2-a]imidazole, 6,7-dihydro-6-[2-(1H-pyrazol-1-yl)phenyl]-, (6S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448908/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 456.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 229.9±28.7 °C
Index of Refraction: 1.720
Molar Refractivity: 75.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.51
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 15.70
ACD/KOC (pH 7.4): 206.79
Polar Surface Area: 36 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 191.1±7.0 cm3

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