1Z8
Summary
| Name: | 4-phenyl-3-(trifluoromethyl)-1H-pyrazole |
| Formula: | C10 H7 F3 N2 |
| Formal charge: | 0 |
| Formula weight: | 212.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-phenyl-3-(trifluoromethyl)-1H-pyrazole |
| OpenEye OEToolkits | 1.9.2 | 4-phenyl-3-(trifluoromethyl)-1H-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c2nncc2c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H7F3N2/c11-10(12,13)9-8(6-14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15) |
| InChIKey | InChI | 1.03 | WXEWNBPXLKAGHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1n[nH]cc1c2ccccc2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1n[nH]cc1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2c[nH]nc2C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2c[nH]nc2C(F)(F)F |
