LJK
Summary
| Name: | 3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide |
| Formula: | C10 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 195.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-~{N}-(2-methylbutan-2-yl)-1~{H}-pyrazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C)(C)CC)c1cc(C)n[NH]1 |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O/c1-5-10(3,4)11-9(14)8-6-7(2)12-13-8/h6H,5H2,1-4H3,(H,11,14)(H,12,13) |
| InChIKey | InChI | 1.03 | ZDAUOJUKQPYKAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(C)(C)NC(=O)c1[nH]nc(C)c1 |
| SMILES | CACTVS | 3.385 | CCC(C)(C)NC(=O)c1[nH]nc(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(C)(C)NC(=O)c1cc(n[nH]1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)(C)NC(=O)c1cc(n[nH]1)C |
