BAW
Summary
| Name: | 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol |
| Formula: | C18 H17 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 312.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H17FN2O2/c1-3-11-8-13(16(23)9-15(11)22)18-17(10(2)20-21-18)12-6-4-5-7-14(12)19/h4-9,22-23H,3H2,1-2H3,(H,20,21) |
| InChIKey | InChI | 1.03 | LSNAMSAWSQUHGB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(c(O)cc1O)c2[nH]nc(C)c2c3ccccc3F |
| SMILES | CACTVS | 3.385 | CCc1cc(c(O)cc1O)c2[nH]nc(C)c2c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F |
