4-bromo-N-(3,3-dimethylbutan-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-N-(3,3-dimethylbutan-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-bromo-N-(3,3-dimethylbutan-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-2899 |
| Compound Name: | 4-bromo-N-(3,3-dimethylbutan-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 302.21 |
| Molecular Formula: | C12 H20 Br N3 O |
| Smiles: | CC(C(C)(C)C)NC(c1c(c(C)nn1C)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1713 |
| logD: | 2.1713 |
| logSw: | -2.2829 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.955 |
| InChI Key: | NKKNMNAGRWILNV-QMMMGPOBSA-N |