2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y503-2334 |
| Compound Name: | 2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C12 H11 N3 O4 |
| Smiles: | Cc1cc(nn1Cc1ccccc1C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6952 |
| logD: | -1.8276 |
| logSw: | -2.4442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.421 |
| InChI Key: | BIOOMQZEIOGAFN-UHFFFAOYSA-N |