VCC
Summary
| Name: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
| Formula: | C11 H8 F3 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 271.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H8F3N3O2/c12-11(13,14)9-6(10(18)19)5-16-17(9)8-4-2-1-3-7(8)15/h1-5H,15H2,(H,18,19) |
| InChIKey | InChI | 1.06 | NWURCYDONMHVOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccccc1n2ncc(C(O)=O)c2C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1ccccc1n2ncc(C(O)=O)c2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N)n2c(c(cn2)C(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N)n2c(c(cn2)C(=O)O)C(F)(F)F |
