UU1
Summary
| Name: | 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol |
| Formula: | C5 H7 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 191.026 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | 2-(4-bromanylpyrazol-1-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cc(cn1CCO)Br |
| InChI | InChI | 1.03 | InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2 |
| InChIKey | InChI | 1.03 | REUWXYIZJBMWPB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCn1cc(Br)cn1 |
| SMILES | CACTVS | 3.385 | OCCn1cc(Br)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cn(n1)CCO)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cn(n1)CCO)Br |
