4-({3-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}methoxy)benzonitrile
Chemical Structure Depiction of
4-({3-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}methoxy)benzonitrile
4-({3-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}methoxy)benzonitrile
Compound characteristics
| Compound ID: | Y502-8800 |
| Compound Name: | 4-({3-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]phenyl}methoxy)benzonitrile |
| Molecular Weight: | 389.33 |
| Molecular Formula: | C19 H14 F3 N3 O3 |
| Smiles: | C1C=NN(C(c2cccc(COc3ccc(C#N)cc3)c2)=O)C1(C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5714 |
| logD: | 2.5713 |
| logSw: | -2.7879 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.627 |
| InChI Key: | RICNOGVUDKCODK-SFHVURJKSA-N |