4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3112-5215 |
| Compound Name: | 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C12 H11 N3 O4 |
| Smiles: | Cc1cc(nn1Cc1ccc(cc1)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6671 |
| logD: | -1.3044 |
| logSw: | -2.0018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.421 |
| InChI Key: | TWWPZZUZTIDIAY-UHFFFAOYSA-N |