4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | IB09-0631 |
| Compound Name: | 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 233.06 |
| Molecular Formula: | C7 H9 Br N2 O2 |
| Smiles: | CCn1c(C(O)=O)c(c(C)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.71 |
| logD: | -3.38 |
| logSw: | -0.72 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.74 |
| InChI Key: | CABAIQRHBLZKEG-UHFFFAOYSA-N |