49P
Summary
| Name: | 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol |
| Formula: | C10 H7 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 228.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol |
| OpenEye OEToolkits | 1.9.2 | 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1cccc(c1)n2ncc(O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15/h1-6,16H |
| InChIKey | InChI | 1.03 | SGZRMGCFXYGLQZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cnn(c1)c2cccc(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1cnn(c1)c2cccc(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F |
