K0P
Summary
| Name: | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide |
| Formula: | C12 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 230.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(1-ethylpyrazol-4-yl)methyl]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(Cc1cnn(c1)CC)C(c2cnccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17) |
| InChIKey | InChI | 1.03 | BMMWLPQUDGCRRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1cc(CNC(=O)c2cccnc2)cn1 |
| SMILES | CACTVS | 3.385 | CCn1cc(CNC(=O)c2cccnc2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1cc(cn1)CNC(=O)c2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCn1cc(cn1)CNC(=O)c2cccnc2 |
