methyl 1-benzyl-3-nitro-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 1-benzyl-3-nitro-1H-pyrazole-5-carboxylate
methyl 1-benzyl-3-nitro-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | 8010-7954 |
| Compound Name: | methyl 1-benzyl-3-nitro-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C12 H11 N3 O4 |
| Smiles: | COC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5409 |
| logD: | 1.5409 |
| logSw: | -2.0002 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.216 |
| InChI Key: | LCYQWJHPXZMIQN-UHFFFAOYSA-N |