3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | 6228-1358 |
| Compound Name: | 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 309.16 |
| Molecular Formula: | C13 H13 Br N2 O2 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(O)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.6607 |
| logD: | -0.7006 |
| logSw: | -2.4744 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.928 |
| InChI Key: | HSTGVTRSHDNWHK-UHFFFAOYSA-N |