4-[3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazol-1-yl]benzoic acid
4-[3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 2237-1860 |
| Compound Name: | 4-[3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | Cc1c(c2cccc(c2)[N+]([O-])=O)c(C)n(c2ccc(cc2)C(O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4989 |
| logD: | 0.6127 |
| logSw: | -3.8671 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.174 |
| InChI Key: | CQCKHKLAXMJOFN-UHFFFAOYSA-N |