WSG
Summary
| Name: | N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide |
| Formula: | C12 H12 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 233.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1-ethylpyrazol-4-yl)-4-fluoranyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2(CC)ncc(NC(=O)c1ccc(cc1)F)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17) |
| InChIKey | InChI | 1.03 | OBDJLTJVFBLJIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1cc(NC(=O)c2ccc(F)cc2)cn1 |
| SMILES | CACTVS | 3.385 | CCn1cc(NC(=O)c2ccc(F)cc2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1cc(cn1)NC(=O)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1cc(cn1)NC(=O)c2ccc(cc2)F |
