LZ7
Summary
| Name: | 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide |
| Formula: | C12 H11 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 262.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(F)cc2 |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F |
| InChI | InChI | 1.03 | InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19) |
| InChIKey | InChI | 1.03 | CWQKPKYIMQTGJK-UHFFFAOYSA-N |
