1DV
概要
| 表記: | 5-methyl-3-(trifluoromethyl)-1H-pyrazole |
| 組成式: | C5 H5 F3 N2 |
| 電荷: | 0 |
| 化学式量: | 150.102 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 5-methyl-3-(trifluoromethyl)-1H-pyrazole |
| OpenEye OEToolkits | 1.7.6 | 5-methyl-3-(trifluoromethyl)-1H-pyrazole |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1nnc(c1)C |
| InChI | InChI | 1.03 | InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | DLCHCAYDSKIFIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]nc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.370 | Cc1[nH]nc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(n[nH]1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(n[nH]1)C(F)(F)F |
