W17
Summary
| Name: | 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide |
| Formula: | C6 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 155.155 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 1-(2-hydroxyethyl)pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1n(cc(C(=O)N)c1)CCO |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O2/c7-6(11)5-3-8-9(4-5)1-2-10/h3-4,10H,1-2H2,(H2,7,11) |
| InChIKey | InChI | 1.03 | LHYHSUSQLBMWFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cnn(CCO)c1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cnn(CCO)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cn(n1)CCO)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cn(n1)CCO)C(=O)N |
