2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y507-0041 |
| Compound Name: | 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C13 H13 N3 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9544 |
| logD: | -1.5685 |
| logSw: | -2.5113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.708 |
| InChI Key: | JXVWZWVFPOLJOL-UHFFFAOYSA-N |