4-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3679-0949 |
| Compound Name: | 4-({2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 423.44 |
| Molecular Formula: | C24 H20 F3 N3 O |
| Smiles: | CC1/C(=C\c2cc(C)n(c3cccc(c3)C(F)(F)F)c2C)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0349 |
| logD: | 5.0349 |
| logSw: | -4.8211 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 28.2516 |
| InChI Key: | GOHNNPWQCNZHHD-UHFFFAOYSA-N |