2-(3-bromophenyl)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-bromophenyl)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3-bromophenyl)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-9166 |
| Compound Name: | 2-(3-bromophenyl)-4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 455.74 |
| Molecular Formula: | C21 H16 Br Cl N4 O |
| Smiles: | CC1/C(=C/c2c(C)nn(c3ccccc3)c2[Cl])C(N(c2cccc(c2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 4.68 |
| logSw: | -4.8434 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.386 |
| InChI Key: | IHLYICMMCWODEJ-UHFFFAOYSA-N |