W0N
Summary
| Name: | N-(2-methylpentan-2-yl)-1H-pyrazole-3-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 | N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-methylpentan-2-yl)-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C)(C)CCC)c1cc[NH]n1 |
| InChI | InChI | 1.06 | InChI=1S/C10H17N3O/c1-4-6-10(2,3)12-9(14)8-5-7-11-13-8/h5,7H,4,6H2,1-3H3,(H,11,13)(H,12,14) |
| InChIKey | InChI | 1.06 | CQQPSLDLWYXHKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(C)(C)NC(=O)c1cc[nH]n1 |
| SMILES | CACTVS | 3.385 | CCCC(C)(C)NC(=O)c1cc[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(C)(C)NC(=O)c1cc[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C)(C)NC(=O)c1cc[nH]n1 |
