5-methyl-4-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-5193 |
| Compound Name: | 5-methyl-4-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C21 H16 N4 O3 |
| Smiles: | CC1/C(=C\c2cccn2c2cccc(c2)[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1193 |
| logD: | 4.1193 |
| logSw: | -4.3699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.498 |
| InChI Key: | XAUBSEYYVQKJTL-UHFFFAOYSA-N |