M4N
Summary
| Name: | ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide |
| Formula: | C11 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 201.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14) |
| InChIKey | InChI | 1.03 | JNPCKQOIIRKYRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1[nH]nc(c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1[nH]nc(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(n[nH]1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(n[nH]1)c2ccccc2 |
