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 |