3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid
Chemical Structure Depiction of
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid
Compound characteristics
| Compound ID: | Y504-8702 |
| Compound Name: | 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid |
| Molecular Weight: | 266.68 |
| Molecular Formula: | C12 H11 Cl N2 O3 |
| Smiles: | COc1ccc(cc1Cn1cc(cn1)[Cl])C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.51 |
| logD: | 0.0211 |
| logSw: | -2.9114 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.783 |
| InChI Key: | ZXEXRYHAHMYZQW-UHFFFAOYSA-N |