YDX
Summary
| Name: | N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide |
| Formula: | C9 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 205.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1-methylpyrazol-3-yl)-2-pyrazol-1-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccn(C)n1)Cn1cccn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11N5O/c1-13-6-3-8(12-13)11-9(15)7-14-5-2-4-10-14/h2-6H,7H2,1H3,(H,11,12,15) |
| InChIKey | InChI | 1.06 | DEBBFOBAIIGVSG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(NC(=O)Cn2cccn2)n1 |
| SMILES | CACTVS | 3.385 | Cn1ccc(NC(=O)Cn2cccn2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)NC(=O)Cn2cccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)NC(=O)Cn2cccn2 |
