A1CDS
Summary
| Name: | 2-(5-amino-3-phenyl-1H-pyrazol-1-yl)ethan-1-ol |
| Formula: | C11 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 203.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(5-amino-3-phenyl-1H-pyrazol-1-yl)ethan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-(5-azanyl-3-phenyl-pyrazol-1-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCCn1nc(cc1N)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3O/c12-11-8-10(13-14(11)6-7-15)9-4-2-1-3-5-9/h1-5,8,15H,6-7,12H2 |
| InChIKey | InChI | 1.06 | VWHSJZHUWWEFAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(nn1CCO)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Nc1cc(nn1CCO)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2cc(n(n2)CCO)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2cc(n(n2)CCO)N |
