A1DO8
Summary
| Name: | 1,3-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide |
| Formula: | C11 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 209.288 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1,3-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 2,5-dimethyl-~{N}-(2-methylbutan-2-yl)pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC(C)(C)CC)c1cc(C)nn1C |
| InChI | InChI | 1.06 | InChI=1S/C11H19N3O/c1-6-11(3,4)12-10(15)9-7-8(2)13-14(9)5/h7H,6H2,1-5H3,(H,12,15) |
| InChIKey | InChI | 1.06 | PHUKVBXJDHMUDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(C)(C)NC(=O)c1cc(C)nn1C |
| SMILES | CACTVS | 3.385 | CCC(C)(C)NC(=O)c1cc(C)nn1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(C)(C)NC(=O)c1cc(nn1C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(C)(C)NC(=O)c1cc(nn1C)C |
