1CK
Summary
| Name: | 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide |
| Formula: | C11 H10 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 280.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide |
| OpenEye OEToolkits | 1.7.0 | 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnc(c1)C)c2ccc(Br)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]nc(NC(=O)c2ccc(Br)cc2)c1 |
| SMILES | CACTVS | 3.370 | Cc1[nH]nc(NC(=O)c2ccc(Br)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br |
| InChI | InChI | 1.03 | InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16) |
| InChIKey | InChI | 1.03 | PXLNCBTUYNESDD-UHFFFAOYSA-N |
