K3A
Summary
| Name: | N-(5-methyl-1H-pyrazol-3-yl)acetamide |
| Formula: | C6 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 139.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-methyl-1H-pyrazol-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(5-methyl-1~{H}-pyrazol-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nc(NC(C)=O)cc1C |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10) |
| InChIKey | InChI | 1.03 | LUFRABHJXNJTNZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc(C)[nH]n1 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cc(C)[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(n[nH]1)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(n[nH]1)NC(=O)C |
