3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
Compound ID: | Y507-0014 |
Compound Name: | 3-[(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(Cc2cccc(c2)C(O)=O)n1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.9155 |
logD: | -1.4458 |
logSw: | -1.9943 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.708 |
InChI Key: | JJKZCGLFVALIHV-UHFFFAOYSA-N |