5S9
Summary
| Name: | ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide |
| Formula: | C11 H9 F2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 237.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H9F2N3O/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17) |
| InChIKey | InChI | 1.03 | IHVMTGWVPFOMFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nccc1C(=O)Nc2ccc(F)cc2F |
| SMILES | CACTVS | 3.385 | Cn1nccc1C(=O)Nc2ccc(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F |
