5-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
5-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6228 |
| Compound Name: | 5-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 273.29 |
| Molecular Formula: | C14 H15 N3 O3 |
| Smiles: | Cc1ccc(c(C)c1)NC(c1c(cnn1C)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1771 |
| logD: | -2.0116 |
| logSw: | -2.6168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.556 |
| InChI Key: | ATJFTPHFZMPPNV-UHFFFAOYSA-N |