TL;DR: [1-(2-Chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-acetic acid (CAS 1015844-43-5) is a chemical compound with molecular formula C12H11ClN2O3 and molecular weight 266.0458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
Also Known As: [1-(2-Chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-acetic acid|BAS 15024641|2-(1-(2-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)acetic acid|Z-0398|2-[2-(2-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid|[1-(2-chlorophenyl)-3-methyl-5-oxo-2H-pyrazol-4-yl]acetic acid|[1-(2-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]acetic acid|2-[1-(2-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]acetic acid|2-(1-(2-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)aceticacid|MFCD08056151|SBB012122|ST50341902
| Molecular Formula | C12H11ClN2O3 |
| Molecular Weight | 266.0458 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0458 Da |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2Cl)CC(=O)O |
| InChIKey | BRXJLIZRHKAEPW-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(2-Chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-acetic acid. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(2-Chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-acetic acid. Following Lipinski's Rule of Five, [1-(2-Chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-acetic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [1-(2-Chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-acetic acid is 1015844-43-5.
The molecular formula of [1-(2-Chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-acetic acid is C12H11ClN2O3.
The molecular weight of [1-(2-Chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-acetic acid is 266.0458 g/mol.
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