FMQ
Summary
| Name: | [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol |
| Formula: | C11 H11 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 206.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol |
| OpenEye OEToolkits | 1.7.6 | [1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)n2ncc(c2C)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H11FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-6,15H,7H2,1H3 |
| InChIKey | InChI | 1.03 | QJPGMVFNIWHOIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1n(ncc1CO)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.370 | Cc1n(ncc1CO)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(cnn1c2ccc(cc2)F)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(cnn1c2ccc(cc2)F)CO |
