4-[5-(2-chlorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[5-(2-chlorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[5-(2-chlorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2799-0093 |
| Compound Name: | 4-[5-(2-chlorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 401.8 |
| Molecular Formula: | C19 H16 Cl N3 O5 |
| Smiles: | C(CC(N1C(CC(c2ccc(cc2)[N+]([O-])=O)=N1)c1ccccc1[Cl])=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5168 |
| logD: | 0.5674 |
| logSw: | -3.8766 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.624 |
| InChI Key: | QLSSTRLHIWSFKI-KRWDZBQOSA-N |