QZ2
Summary
| Name: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid |
| Formula: | C8 H8 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 192.175 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)6-2-7(8(13)14)11-10-6/h2-4H,1H3,(H,10,11)(H,13,14) |
| InChIKey | InChI | 1.03 | SQTWDTBKAUXKHZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2cc([nH]n2)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2cc([nH]n2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cc([nH]n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)c2cc([nH]n2)C(=O)O |
