4-bromo-1-butyl-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
4-bromo-1-butyl-1H-pyrazole-5-carboxylic acid
4-bromo-1-butyl-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1389 |
| Compound Name: | 4-bromo-1-butyl-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 247.09 |
| Molecular Formula: | C8 H11 Br N2 O2 |
| Smiles: | CCCCn1c(C(O)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6154 |
| logD: | -3.178 |
| logSw: | -1.3467 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.855 |
| InChI Key: | CQDXJVSGOSYWRJ-UHFFFAOYSA-N |