4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2368-0984 |
| Compound Name: | 4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C25 H25 N3 O |
| Smiles: | CC1/C(=C/c2cc(C)n(c3cc(C)cc(C)c3)c2C)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1718 |
| logD: | 5.1717 |
| logSw: | -5.0721 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 28.2516 |
| InChI Key: | FTQPVZQBZJUGBQ-UHFFFAOYSA-N |