化工社化工社 化学情報印刷レポート · 研究参考用
4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene}-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene}-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one · 3H-Pyrazol-3-one, 4-[[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-methyl-
![4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene}-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one の分子構造式](/img/chemical/178819847.png)
識別子と物理属性
| CAS No. | 899718-53-7 |
|---|---|
| 分子式 | C21H16ClFN4O2 |
| 平均分子量 | 410.83 g/mol |
| SMILES | CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c(C)nn(-c2ccc(Cl)cc2)c1O |
| InChIKey | FCABZFMHXOWHAP-UHFFFAOYSA-N |
化学・物理的性質
| 沸点 | 577.6±60.0 °C(Predicted) |
|---|---|
| 密度 | 1.40±0.1 g/cm3(Predicted) |
| pKa（酸解離定数） | 6.99±0.50(Predicted) |