1-[1-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrazol-3-yl]ethan-1-one
1-[1-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8011-6529 |
| Compound Name: | 1-[1-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrazol-3-yl]ethan-1-one |
| Molecular Weight: | 341.34 |
| Molecular Formula: | C16 H11 N3 O4 S |
| Smiles: | CC(c1c(cn(c2cccc(c2)[N+]([O-])=O)n1)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9306 |
| logD: | 2.9306 |
| logSw: | -3.4057 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.836 |
| InChI Key: | RBORFXAGJVMTIW-UHFFFAOYSA-N |