JLC
Summary
| Name: | ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide |
| Formula: | C17 H14 N6 O |
| Formal charge: | 0 |
| Formula weight: | 318.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14N6O/c1-22-11-13(10-19-22)20-17(24)15-9-14(12-5-3-2-4-6-12)21-16-7-8-18-23(15)16/h2-11H,1H3,(H,20,24) |
| InChIKey | InChI | 1.06 | BGOUSPIMCWXCLA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(NC(=O)c2cc(nc3ccnn23)c4ccccc4)cn1 |
| SMILES | CACTVS | 3.385 | Cn1cc(NC(=O)c2cc(nc3ccnn23)c4ccccc4)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)NC(=O)c2cc(nc3n2ncc3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)NC(=O)c2cc(nc3n2ncc3)c4ccccc4 |
