SQM
Summary
| Name: | 4-benzamido-2-methyl-pyrazole-3-carboxamide |
| Formula: | C12 H12 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 244.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-benzamido-2-methyl-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18) |
| InChIKey | InChI | 1.03 | RHBYLZOCKQVWCX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O |
| SMILES | CACTVS | 3.385 | Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N |
