4-{4-[3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid
Chemical Structure Depiction of
4-{4-[3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid
4-{4-[3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid
Compound characteristics
| Compound ID: | 8018-2134 |
| Compound Name: | 4-{4-[3-(3-nitrophenyl)prop-2-enamido]-1H-pyrazol-1-yl}butanoic acid |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C16 H16 N4 O5 |
| Smiles: | C(CC(O)=O)Cn1cc(cn1)NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0834 |
| logD: | -1.6358 |
| logSw: | -2.045 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.637 |
| InChI Key: | IOILEJMZAZIPHQ-UHFFFAOYSA-N |