4'-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-2,5-dimethyl-1'-phenyl-1',4'-dihydro-2H,5'H-[3,3'-bipyrazol]-5'-one
Chemical Structure Depiction of
4'-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-2,5-dimethyl-1'-phenyl-1',4'-dihydro-2H,5'H-[3,3'-bipyrazol]-5'-one
4'-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-2,5-dimethyl-1'-phenyl-1',4'-dihydro-2H,5'H-[3,3'-bipyrazol]-5'-one
Compound characteristics
| Compound ID: | Y500-3572 |
| Compound Name: | 4'-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-2,5-dimethyl-1'-phenyl-1',4'-dihydro-2H,5'H-[3,3'-bipyrazol]-5'-one |
| Molecular Weight: | 360.42 |
| Molecular Formula: | C20 H20 N6 O |
| Smiles: | CCn1cc(\C=C2/C(c3cc(C)nn3C)=NN(C2=O)c2ccccc2)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.7236 |
| logD: | 1.7236 |
| logSw: | -2.0426 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.966 |
| InChI Key: | BVHMFUHHRUABHF-UHFFFAOYSA-N |