A1EFQ
Summary
| Name: | 1-(1H-pyrazol-3-yl)ethanone |
| Formula: | C5 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 110.114 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(1~{H}-pyrazol-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H6N2O/c1-4(8)5-2-3-6-7-5/h2-3H,1H3,(H,6,7) |
| InChIKey | InChI | 1.06 | BHTZCIGVYSJBQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cc[nH]n1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1cc[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc[nH]n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc[nH]n1 |
