A1IBW
Summary
| Name: | [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol |
| Formula: | C12 H11 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 256.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11F3N2O/c1-17-10(6-11(16-17)12(13,14)15)9-5-3-2-4-8(9)7-18/h2-6,18H,7H2,1H3 |
| InChIKey | InChI | 1.06 | HLMRFDCLSUXVQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(cc1c2ccccc2CO)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cn1nc(cc1c2ccccc2CO)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)C(F)(F)F)c2ccccc2CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)C(F)(F)F)c2ccccc2CO |
