A1AP7
Summary
| Name: | 4-(4-methyl-1H-pyrazol-5-yl)pyridine |
| Formula: | C9 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 159.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methyl-1H-pyrazol-5-yl)pyridine |
| OpenEye OEToolkits | 2.0.7 | 4-(4-methyl-1~{H}-pyrazol-5-yl)pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cn[NH]c1c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9N3/c1-7-6-11-12-9(7)8-2-4-10-5-3-8/h2-6H,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | DIJNPLGAABOOQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn[nH]c1c2ccncc2 |
| SMILES | CACTVS | 3.385 | Cc1cn[nH]c1c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cn[nH]c1c2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn[nH]c1c2ccncc2 |
