methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 6228-1249 |
| Compound Name: | methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate |
| Molecular Weight: | 323.19 |
| Molecular Formula: | C14 H15 Br N2 O2 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(=O)OC)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.914 |
| logD: | 2.914 |
| logSw: | -2.9919 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.694 |
| InChI Key: | BTBSJYIFXDSDRH-UHFFFAOYSA-N |