54Y
Summary
| Name: | 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide |
| Formula: | C6 H8 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 173.6 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 5-chloranyl-N,1-dimethyl-pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1n(C)c(c(C(=O)NC)c1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C6H8ClN3O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,1-2H3,(H,8,11) |
| InChIKey | InChI | 1.03 | GWOXCPZAAJXFDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cnn(C)c1Cl |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cnn(C)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1cnn(c1Cl)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1cnn(c1Cl)C |
