1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | 6228-1288 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C12 H11 N3 O4 |
| Smiles: | Cc1ccc(Cn2c(cc(n2)[N+]([O-])=O)C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5302 |
| logD: | -3.1807 |
| logSw: | -1.8749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.45 |
| InChI Key: | BEWYIEFDAZKWCF-UHFFFAOYSA-N |