5-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
Chemical Structure Depiction of
5-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
5-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | 3336-0955 |
| Compound Name: | 5-[3-(4-bromophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid |
| Molecular Weight: | 460.28 |
| Molecular Formula: | C20 H18 Br N3 O5 |
| Smiles: | C(CC(O)=O)CC(N1C(CC(c2ccc(cc2)[Br])=N1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8416 |
| logD: | 1.2444 |
| logSw: | -4.0878 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.624 |
| InChI Key: | WOIWWAABWKWSQO-GOSISDBHSA-N |