TL;DR: 4-chloro-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol (CAS 148077-90-1) is a chemical compound with molecular formula C16H13ClN2O2 and molecular weight 300.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
Also Known As: BAS 01121854, BIM-0021543.P001, 4-chloro-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol, 4-chloro-2-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)phenol, 4-Chloro-2-[5-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-phenol
| Molecular Formula | C16H13ClN2O2 |
| Molecular Weight | 300.06656 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.06656 Da |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C3=C(C=CC(=C3)Cl)O |
| InChIKey | ZKDKXGDQMJMUTD-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-chloro-2-[5-(4-methoxyphenyl)-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 58.1 Ų, 4-chloro-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol is 148077-90-1.
The molecular formula of 4-chloro-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol is C16H13ClN2O2.
The molecular weight of 4-chloro-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol is 300.06656 g/mol.
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