TL;DR: 4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol (CAS 1164497-58-8) is a chemical compound with molecular formula C17H16N2O and molecular weight 264.12625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
Also Known As: BAS 01121828, 4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol, J3.557.722J, (6E)-4-methyl-6-[5-(2-methylphenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one, 4-Methyl-2-(5-o-tolyl-1H-pyrazol-3-yl)-phenol
| Molecular Formula | C17H16N2O |
| Molecular Weight | 264.12625 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.12625 Da |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
| SMILES | CC1=CC(=C(C=C1)O)C2=NNC(=C2)C3=CC=CC=C3C |
| InChIKey | ZLYRBPNNXMKKGJ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 4-methyl-2-[5-(2-methylphenyl)-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, 4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-2-[5-(2-methylphenyl)-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 4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is 1164497-58-8.
The molecular formula of 4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is C17H16N2O.
The molecular weight of 4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol is 264.12625 g/mol.
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