TL;DR: 3,3'-Dimethyl-1-(4-phenyl-2-thiazolyl)-1'-(4-chlorophenyl)-5-hydroxy[4,5']-bipyrazol (CAS 129302-18-7) is a chemical compound with molecular formula C23H18ClN5OS and molecular weight 447.09207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
Also Known As: 3,3'-Dimethyl-1-(4-phenyl-2-thiazolyl)-1'-(4-chlorophenyl)-5-hydroxy[4,5']-bipyrazol, 8E-904, 2-(4-chlorophenyl)-5,5'-dimethyl-2'-(4-phenyl-1,3-thiazol-2-yl)-2H,2'H-[3,4'-bipyrazole]-3'-ol, 4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one, (4E)-4-[2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-ylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
| Molecular Formula | C23H18ClN5OS |
| Molecular Weight | 447.09207 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.09207 Da |
| Heavy Atoms | 31 |
| Complexity | 706.0 |
| SMILES | CC1=NN(C(=C1)C2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C)C5=CC=C(C=C5)Cl |
| InChIKey | OKXQDCWBAPDTTH-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 3,3'-Dimethyl-1-(4-phenyl-2-thiazolyl)-1'-(4-chlorophenyl)-5-hydroxy[4,5']-bipyrazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Dimethyl-1-(4-phenyl-2-thiazolyl)-1'-(4-chlorophenyl)-5-hydroxy[4,5']-bipyrazol. Following Lipinski's Rule of Five, 3,3'-Dimethyl-1-(4-phenyl-2-thiazolyl)-1'-(4-chlorophenyl)-5-hydroxy[4,5']-bipyrazol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,3'-Dimethyl-1-(4-phenyl-2-thiazolyl)-1'-(4-chlorophenyl)-5-hydroxy[4,5']-bipyrazol is 129302-18-7.
The molecular formula of 3,3'-Dimethyl-1-(4-phenyl-2-thiazolyl)-1'-(4-chlorophenyl)-5-hydroxy[4,5']-bipyrazol is C23H18ClN5OS.
The molecular weight of 3,3'-Dimethyl-1-(4-phenyl-2-thiazolyl)-1'-(4-chlorophenyl)-5-hydroxy[4,5']-bipyrazol is 447.09207 g/mol.
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