4-Chloro-2-(1H-pyrazol-3-yl)phenol
TL;DR: 4-Chloro-2-(1H-pyrazol-3-yl)phenol (CAS 18704-67-1) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02469 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-(1H-pyrazol-5-yl)phenol
Also Known As: 4-Chloro-2-(1H-pyrazol-3-yl)phenol, 3-(5-Chloro-2-hydroxyphenyl)pyrazole, 3vbt, 4-chloro-2-(1h-pyrazol-5-yl)phenol, 4-chloro-2-pyrazol-3-ylphenol
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.02469 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 48.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.02469 Da |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| SMILES | C1=CC(=C(C=C1Cl)C2=CC=NN2)O |
| InChIKey | DMGLUMYOLOAXJY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-(1H-pyrazol-3-yl)phenol
Property Insights of 4-Chloro-2-(1H-pyrazol-3-yl)phenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(1H-pyrazol-3-yl)phenol. With a topological polar surface area (TPSA) of 48.9 Ų, 4-Chloro-2-(1H-pyrazol-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(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.
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-(1H-pyrazol-3-yl)phenol?
The CAS number of 4-Chloro-2-(1H-pyrazol-3-yl)phenol is 18704-67-1.
What is the molecular formula of 4-Chloro-2-(1H-pyrazol-3-yl)phenol?
The molecular formula of 4-Chloro-2-(1H-pyrazol-3-yl)phenol is C9H7ClN2O.
What is the molecular weight of 4-Chloro-2-(1H-pyrazol-3-yl)phenol?
The molecular weight of 4-Chloro-2-(1H-pyrazol-3-yl)phenol is 194.02469 g/mol.
Where can I buy 4-Chloro-2-(1H-pyrazol-3-yl)phenol?
You can request a quote for 4-Chloro-2-(1H-pyrazol-3-yl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-(1H-pyrazol-3-yl)phenol?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-(1H-pyrazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.