1DU
Summary
| Name: | 2-(1H-pyrazol-1-yl)ethanol |
| Formula: | C5 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 112.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1H-pyrazol-1-yl)ethanol |
| OpenEye OEToolkits | 1.7.6 | 2-pyrazol-1-ylethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCn1nccc1 |
| InChI | InChI | 1.03 | InChI=1S/C5H8N2O/c8-5-4-7-3-1-2-6-7/h1-3,8H,4-5H2 |
| InChIKey | InChI | 1.03 | DXFBKDSQMUFYLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OCCn1cccn1 |
| SMILES | CACTVS | 3.370 | OCCn1cccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnn(c1)CCO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnn(c1)CCO |
