methyl 4-{5-methyl-3-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{5-methyl-3-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoate
methyl 4-{5-methyl-3-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoate
Compound characteristics
Compound ID: | 8018-0989 |
Compound Name: | methyl 4-{5-methyl-3-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoate |
Molecular Weight: | 350.33 |
Molecular Formula: | C14 H18 N6 O5 |
Smiles: | Cc1cc(NC(Cn2cc(cn2)[N+]([O-])=O)=O)nn1CCCC(=O)OC |
Stereo: | ACHIRAL |
logP: | 0.063 |
logD: | 0.0184 |
logSw: | -1.9008 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 106.6 |
InChI Key: | QLUFVLKVYJQVRH-UHFFFAOYSA-N |