Q5L
Summary
| Name: | N-(propan-2-yl)-1H-pyrazole-3-carboxamide |
| Formula: | C7 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 153.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(propan-2-yl)-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-propan-2-yl-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C)C)c1cc[NH]n1 |
| InChI | InChI | 1.03 | InChI=1S/C7H11N3O/c1-5(2)9-7(11)6-3-4-8-10-6/h3-5H,1-2H3,(H,8,10)(H,9,11) |
| InChIKey | InChI | 1.03 | KIDXTSGRYSIIRY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)c1cc[nH]n1 |
| SMILES | CACTVS | 3.385 | CC(C)NC(=O)c1cc[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)c1cc[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)c1cc[nH]n1 |
