| Weight | 186.214 g/mol |
|---|---|
| Formula | C11H10N2O |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 2 |
1-(1-phenyl-1H-pyrazol-4-yl)ethanone (3968-40-9)
3968-40-9
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- Synthesis, Dimeric Crystal Structure, and Fungicidal Activity of 1-(4-Methylphenyl)-2-(5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)ethanone (Phosphorus Sulfur and Silicon and The Related Elements, 2011)
- Synthesis, crystal structure and fungicidal activity of 1-(4-chlorophenyl)-2-(5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)ethanone (Structural Chemistry, 2008)
- Vibrational and structural observations and molecular docking study on 1-{3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-ethanone (Journal of Molecular Structure, 2016)
- FT-IR, NBO, HOMOLUMO, MEP analysis and molecular docking study of 1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015)
- 1-[5-(Anthracen-9-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone (Acta Crystallographica Section E-structure Reports Online, 2011)
- 1-[3-(4-Fluoro-phen-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone. (Acta Crystallographica Section E-structure Reports Online, 2012)
- 3968-40-9
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SMILESCC(=O)C1=CN(N=C1)C2=CC=CC=C2
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InChIKeyZZLLGMSBHKIMHK-UHFFFAOYSA-N
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Alternate Names
Estimated Properties
| Boiling Point | 305.76 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 317.51 C | EPI Suite |
| Density | 1.19 g/cm3 | EPA T.E.S.T. |
| Flash Point | 139.64 C | EPA T.E.S.T. |
| Melting Point | 97.1 C | EPI Suite |
| Water Solubility | 193.76 mg/L | EPA T.E.S.T. |
| Water Solubility | 6612.7 mg/L | EPI Suite |
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