3-(dibutylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(dibutylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-(dibutylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8421 |
| Compound Name: | 3-(dibutylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 281.35 |
| Molecular Formula: | C14 H23 N3 O3 |
| Smiles: | CCCCN(CCCC)C(c1c(cn(C)n1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.285 |
| logD: | -1.2898 |
| logSw: | -2.2014 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.442 |
| InChI Key: | KWEBFVFAVJXXLD-UHFFFAOYSA-N |