8TA
Summary
| Name: | 2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine |
| Formula: | C12 H10 N4 |
| Formal charge: | 0 |
| Formula weight: | 210.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine |
| OpenEye OEToolkits | 2.0.6 | 2-(5-pyrrol-1-yl-1~{H}-pyrazol-4-yl)pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccccc1c2cnnc2n3cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C12H10N4/c1-2-6-13-11(5-1)10-9-14-15-12(10)16-7-3-4-8-16/h1-9H,(H,14,15) |
| InChIKey | InChI | 1.03 | XNKBJFZFSNFFOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1ncc(c1n2cccc2)c3ccccn3 |
| SMILES | CACTVS | 3.385 | [nH]1ncc(c1n2cccc2)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)c2cn[nH]c2n3cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)c2cn[nH]c2n3cccc3 |
