8T7
概要
| 表記: | 1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine |
| 組成式: | C11 H10 F3 N3 |
| 電荷: | 0 |
| 化学式量: | 241.212 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 | 1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-amine |
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 | n2(C)nc(C(F)(F)F)c(c1ccccc1)c2N |
| InChI | InChI | 1.03 | InChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3 |
| InChIKey | InChI | 1.03 | KCCKFLAAEZFOPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(c(c1N)c2ccccc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cn1nc(c(c1N)c2ccccc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N |
