3-bromo-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-bromo-1-methyl-1H-pyrazole-4-carboxylic acid
3-bromo-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1284 |
| Compound Name: | 3-bromo-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 205.01 |
| Molecular Formula: | C5 H5 Br N2 O2 |
| Smiles: | Cn1cc(C(O)=O)c(n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.7348 |
| logD: | -3.3527 |
| logSw: | -1.0806 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.352 |
| InChI Key: | LJOMSWUFAYFYEA-UHFFFAOYSA-N |