V60
Summary
| Name: | ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide |
| Formula: | C8 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 167.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11) |
| InChIKey | InChI | 1.06 | GXCQKWVJCHWJQZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CNC(=O)c1cc[nH]n1 |
| SMILES | CACTVS | 3.385 | CC(C)CNC(=O)c1cc[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CNC(=O)c1cc[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CNC(=O)c1cc[nH]n1 |
