8PQ
Summary
| Name: | 4-bromanyl-3,5-dimethyl-1~{H}-pyrazole |
| Formula: | C5 H7 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 175.026 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-bromanyl-3,5-dimethyl-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8) |
| InChIKey | InChI | 1.03 | RISOHYOEPYWKOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(C)c1Br |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc(C)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n[nH]1)C)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n[nH]1)C)Br |
