3-[(2-carboxy-1-phenylethyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[(2-carboxy-1-phenylethyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
3-[(2-carboxy-1-phenylethyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8053 |
| Compound Name: | 3-[(2-carboxy-1-phenylethyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C15 H15 N3 O5 |
| Smiles: | Cn1cc(C(O)=O)c(C(NC(CC(O)=O)c2ccccc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4643 |
| logD: | -3.3114 |
| logSw: | -1.9906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.43 |
| InChI Key: | QKFVYHOTAGWFNF-NSHDSACASA-N |