Q76
Summary
| Name: | N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide |
| Formula: | C7 H9 F3 N4 O |
| Formal charge: | 0 |
| Formula weight: | 222.168 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-~{N}-[3-(trifluoromethyl)-1~{H}-pyrazol-5-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc(NC(=O)C(C)N)[NH]n1 |
| InChI | InChI | 1.03 | InChI=1S/C7H9F3N4O/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10/h2-3H,11H2,1H3,(H2,12,13,14,15) |
| InChIKey | InChI | 1.03 | OAGUFEGPGQTLPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)C(=O)Nc1[nH]nc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH](N)C(=O)Nc1[nH]nc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)Nc1cc(n[nH]1)C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)Nc1cc(n[nH]1)C(F)(F)F)N |
