1Z6
Summary
| Name: | 4-(4-fluorophenyl)-3-methyl-1H-pyrazole |
| Formula: | C10 H9 F N2 |
| Formal charge: | 0 |
| Formula weight: | 176.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-fluorophenyl)-3-methyl-1H-pyrazole |
| OpenEye OEToolkits | 1.9.2 | 4-(4-fluorophenyl)-3-methyl-1H-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc2ccc(c1cnnc1C)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H9FN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | XUVCYVPANABQRL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n[nH]cc1c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | Cc1n[nH]cc1c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c[nH]n1)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c[nH]n1)c2ccc(cc2)F |
