Y1R
Summary
| Name: | (1S)-1-(1H-pyrazol-5-yl)ethan-1-ol |
| 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 | (1S)-1-(1H-pyrazol-5-yl)ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-(1~{H}-pyrazol-5-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(O)c1ccn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7)/t4-/m0/s1 |
| InChIKey | InChI | 1.06 | CABHXTNYNGUYFF-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)c1[nH]ncc1 |
| SMILES | CACTVS | 3.385 | C[CH](O)c1[nH]ncc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccn[nH]1)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccn[nH]1)O |
