4-{[2,5-dimethyl-1-(3-nitrophenyl)-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-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2368-1298 |
| Compound Name: | 4-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C23 H20 N4 O3 |
| Smiles: | CC1/C(=C/c2cc(C)n(c3cccc(c3)[N+]([O-])=O)c2C)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0536 |
| logD: | 4.0536 |
| logSw: | -4.182 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.633 |
| InChI Key: | GMSNHQCCOINLRK-UHFFFAOYSA-N |