8SM
Summary
| Name: | 2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine |
| Formula: | C13 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 224.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine |
| OpenEye OEToolkits | 2.0.6 | 2-(1-methyl-3-pyrrol-1-yl-pyrazol-4-yl)pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2(cc(c1ccccn1)c(n2)n3cccc3)C |
| InChI | InChI | 1.03 | InChI=1S/C13H12N4/c1-16-10-11(12-6-2-3-7-14-12)13(15-16)17-8-4-5-9-17/h2-10H,1H3 |
| InChIKey | InChI | 1.03 | XCHUIBSCRPPPPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(c2ccccn2)c(n1)n3cccc3 |
| SMILES | CACTVS | 3.385 | Cn1cc(c2ccccn2)c(n1)n3cccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)n2cccc2)c3ccccn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)n2cccc2)c3ccccn3 |
