TL;DR: 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol (CAS 121911-71-5) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
Also Known As: 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol, 5-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol, BAS 01121811, 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)-phenol, J3.760.442I
| Molecular Formula | C16H14N2O |
| Molecular Weight | 250.11061 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.11061 Da |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
| SMILES | CC1=CC(=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3)O |
| InChIKey | UITPHBJALGIKSW-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol is 121911-71-5.
The molecular formula of 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol is C16H14N2O.
The molecular weight of 5-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol is 250.11061 g/mol.
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