1-methyl-3-[methyl(phenyl)carbamoyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-methyl-3-[methyl(phenyl)carbamoyl]-1H-pyrazole-4-carboxylic acid
1-methyl-3-[methyl(phenyl)carbamoyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0427 |
| Compound Name: | 1-methyl-3-[methyl(phenyl)carbamoyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 259.26 |
| Molecular Formula: | C13 H13 N3 O3 |
| Smiles: | CN(C(c1c(cn(C)n1)C(O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.7492 |
| logD: | -3.2387 |
| logSw: | -1.8352 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.371 |
| InChI Key: | HWJDFLJYZFGRDX-UHFFFAOYSA-N |