5-[(3-bromophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[(3-bromophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
5-[(3-bromophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6177 |
| Compound Name: | 5-[(3-bromophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 324.13 |
| Molecular Formula: | C12 H10 Br N3 O3 |
| Smiles: | Cn1c(C(Nc2cccc(c2)[Br])=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3044 |
| logD: | -1.8844 |
| logSw: | -2.8683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.254 |
| InChI Key: | HHBQPENPUQARPX-UHFFFAOYSA-N |