4-bromo-N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-bromo-N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-6098 |
| Compound Name: | 4-bromo-N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 338.2 |
| Molecular Formula: | C14 H16 Br N3 O2 |
| Smiles: | Cc1ccc(c(c1)NC(c1c(c(C)nn1C)[Br])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.271 |
| logD: | 2.2628 |
| logSw: | -2.9656 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.131 |
| InChI Key: | XQJOXNWWXFTGJK-UHFFFAOYSA-N |