WS4
Summary
| Name: | N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide |
| Formula: | C11 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 217.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-hydroxyphenyl)-1-methyl-pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16) |
| InChIKey | InChI | 1.03 | BOTWCSZQXQBVCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)C(=O)Nc2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)C(=O)Nc2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)C(=O)Nc2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)C(=O)Nc2ccc(cc2)O |
