A1AKC
Summary
| Name: | N-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide |
| Formula: | C12 H10 F3 N3 O |
| Formal charge: | 0 |
| Formula weight: | 269.223 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cn(C)nc1)c1ccccc1C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C12H10F3N3O/c1-18-7-8(6-16-18)17-11(19)9-4-2-3-5-10(9)12(13,14)15/h2-7H,1H3,(H,17,19) |
| InChIKey | InChI | 1.06 | HJOQMJVPFXCEBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1 |
| SMILES | CACTVS | 3.385 | Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)NC(=O)c2ccccc2C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)NC(=O)c2ccccc2C(F)(F)F |
