methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | IB05-9696 |
| Compound Name: | methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 233.06 |
| Molecular Formula: | C7 H9 Br N2 O2 |
| Smiles: | Cc1c(c(C(=O)OC)n(C)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.94 |
| logD: | 0.94 |
| logSw: | -0.76 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 61.98 |
| InChI Key: | NWCFXOKZBLZXJD-UHFFFAOYSA-N |