TL;DR: (4E)-4-[2-(2-CHLOROPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE (CAS 314290-17-0) is a chemical compound with molecular formula C20H16ClN5O2S and molecular weight 425.07132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-chlorophenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one
Also Known As: (4E)-4-[2-(2-CHLOROPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, 4-[(2-chlorophenyl)hydrazono]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazole-4,5-dione 4-[(2-chlorophenyl)hydrazone], (4Z)-4-[(2-chlorophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-one, (4Z)-4-[2-(2-chlorophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C20H16ClN5O2S |
| Molecular Weight | 425.07132 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.07132 Da |
| Heavy Atoms | 29 |
| Complexity | 667.0 |
| SMILES | CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)OC)N=NC4=CC=CC=C4Cl |
| InChIKey | POVNSAMWLQFEFZ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that (4E)-4-[2-(2-CHLOROPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[2-(2-CHLOROPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE. Following Lipinski's Rule of Five, (4E)-4-[2-(2-CHLOROPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4E)-4-[2-(2-CHLOROPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE is 314290-17-0.
The molecular formula of (4E)-4-[2-(2-CHLOROPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE is C20H16ClN5O2S.
The molecular weight of (4E)-4-[2-(2-CHLOROPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE is 425.07132 g/mol.
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