3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid
Chemical Structure Depiction of
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid
Compound characteristics
| Compound ID: | Y504-8704 |
| Compound Name: | 3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid |
| Molecular Weight: | 260.29 |
| Molecular Formula: | C14 H16 N2 O3 |
| Smiles: | Cc1cc(C)n(Cc2cc(ccc2OC)C(O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0327 |
| logD: | -0.4562 |
| logSw: | -2.2623 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.012 |
| InChI Key: | WSSQRQOVLIJMOC-UHFFFAOYSA-N |