3-[butyl(methyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[butyl(methyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
3-[butyl(methyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8420 |
| Compound Name: | 3-[butyl(methyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 239.27 |
| Molecular Formula: | C11 H17 N3 O3 |
| Smiles: | CCCCN(C)C(c1c(cn(C)n1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5155 |
| logD: | -3.0593 |
| logSw: | -1.0863 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.403 |
| InChI Key: | RYUYHJGFTKYMMP-UHFFFAOYSA-N |