A1CWL
Summary
| Name: | 1-phenyl-1H-pyrazol-4-ol |
| Formula: | C9 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 160.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-phenyl-1H-pyrazol-4-ol |
| OpenEye OEToolkits | 3.1.0.0 | 1-phenylpyrazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1cn(nc1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H8N2O/c12-9-6-10-11(7-9)8-4-2-1-3-5-8/h1-7,12H |
| InChIKey | InChI | 1.06 | PAIIFXHEHLRVNC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cnn(c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Oc1cnn(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)n2cc(cn2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)n2cc(cn2)O |
