4-(4-bromophenyl)-2-(3-methyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
Chemical Structure Depiction of
4-(4-bromophenyl)-2-(3-methyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
4-(4-bromophenyl)-2-(3-methyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 7201-0010 |
| Compound Name: | 4-(4-bromophenyl)-2-(3-methyl-1H-pyrazol-1-yl)-4-oxobutanoic acid |
| Molecular Weight: | 337.17 |
| Molecular Formula: | C14 H13 Br N2 O3 |
| Smiles: | Cc1ccn(C(CC(c2ccc(cc2)[Br])=O)C(O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6789 |
| logD: | -1.7111 |
| logSw: | -1.9827 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.478 |
| InChI Key: | KWSRUFVZDZMRIZ-LBPRGKRZSA-N |