methyl 4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate
methyl 4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | Y507-3374 |
| Compound Name: | methyl 4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate |
| Molecular Weight: | 291.26 |
| Molecular Formula: | C13 H13 N3 O5 |
| Smiles: | COC(c1ccc(c(Cn2cc(cn2)[N+]([O-])=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9706 |
| logD: | 1.9706 |
| logSw: | -2.4502 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.93 |
| InChI Key: | OKTUWVCQNWWVSH-UHFFFAOYSA-N |