TL;DR: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 1110776-28-7) is a chemical compound with molecular formula C20H16BrN5O2S and molecular weight 469.0208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)diazenyl]-5-methyl-1H-pyrazol-3-one
Also Known As: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazinylidene]-5-methylpyrazol-3-one, (4E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[2-(4-methoxyphenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazinylidene]-5-methylpyrazol-3-one, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazinylidene]-5-methyl-pyrazol-3-one
| Molecular Formula | C20H16BrN5O2S |
| Molecular Weight | 469.0208 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 | 469.0208 Da |
| Heavy Atoms | 29 |
| Complexity | 659.0 |
| SMILES | CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Br)N=NC4=CC=C(C=C4)OC |
| InChIKey | DTFFCBLASRSFKJ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-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 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 1110776-28-7.
The molecular formula of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C20H16BrN5O2S.
The molecular weight of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 469.0208 g/mol.
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