2NU
Summary
| Name: | 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide |
| Formula: | C9 H12 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 258.115 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3 |
| InChIKey | InChI | 1.03 | WFHPYRQFVJBTSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C1CC1)C(=O)Cn2cc(Br)cn2 |
| SMILES | CACTVS | 3.385 | CN(C1CC1)C(=O)Cn2cc(Br)cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C1CC1)C(=O)Cn2cc(cn2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C1CC1)C(=O)Cn2cc(cn2)Br |
