methyl 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxybenzoate
methyl 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxybenzoate
Compound characteristics
| Compound ID: | Y504-8947 |
| Compound Name: | methyl 3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxybenzoate |
| Molecular Weight: | 325.16 |
| Molecular Formula: | C13 H13 Br N2 O3 |
| Smiles: | COC(c1ccc(c(Cn2cc(cn2)[Br])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8352 |
| logD: | 2.8352 |
| logSw: | -3.0201 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.548 |
| InChI Key: | NFFDSFHLIAFFTI-UHFFFAOYSA-N |