UV7
Summary
| Name: | N-[(1H-pyrazol-4-yl)methyl]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-[(1H-pyrazol-4-yl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1~{H}-pyrazol-4-ylmethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cc(cn1)CNC(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9) |
| InChIKey | InChI | 1.03 | VFAFDDVJGKOBTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1c[nH]nc1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1c[nH]nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1c[nH]nc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1c[nH]nc1 |
