5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
TL;DR: 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid (CAS 916995-72-7) is a chemical compound with molecular formula C16H11FN2O2 and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-1-phenylpyrazole-3-carboxylic acid
Also Known As: TOS-BB-0287, 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid, 5-(4-fluorophenyl)-1-phenylpyrazole-3-carboxylic acid, 5-(4-Fluoro-phenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C16H11FN2O2 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.3766 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.08044 |
| Heavy Atoms | 21 |
| Complexity | 779.7965 |
Chemical Identifiers
| CAS Number | 916995-72-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)F |
Product Overview
5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid (CAS 916995-72-7), with molecular formula C16H11FN2O2 and molecular weight 282.08 g/mol. IUPAC: 5-(4-fluorophenyl)-1-phenylpyrazole-3-carboxylic acid.
Chemical Property Profile of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
Property Insights of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
The XLogP value of 3.3766 indicates that 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid is 916995-72-7.
What is the molecular formula of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid is C16H11FN2O2.
What is the molecular weight of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid is 282.08 g/mol.
Where can I buy 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.