4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid
4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y501-6240 |
| Compound Name: | 4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 205.01 |
| Molecular Formula: | C5 H5 Br N2 O2 |
| Smiles: | Cn1c(C(O)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.1692 |
| logD: | -4.9053 |
| logSw: | 0.0439 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.162 |
| InChI Key: | YXIJCAVZGBGUKM-UHFFFAOYSA-N |