4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
TL;DR: 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 150649-14-2) is a chemical compound with molecular formula C11H7F3N2O3 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid
Also Known As: starbld0048128, 4-[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid, 4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic Acid, 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, Benzoic acid, 4-[4,5-dihydro-5-oxo-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
| Molecular Formula | C11H7F3N2O3 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 2.0398 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.04086 |
| Heavy Atoms | 19 |
| Complexity | 563.5433 |
Chemical Identifiers
| CAS Number | 150649-14-2 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=C(C=C2)C(=O)O)C(F)(F)F |
Product Overview
4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 150649-14-2), with molecular formula C11H7F3N2O3 and molecular weight 272.04 g/mol. IUPAC: 4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid.
Chemical Property Profile of 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Property Insights of 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 2.0398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 3 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 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The CAS number of 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 150649-14-2.
What is the molecular formula of 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is C11H7F3N2O3.
What is the molecular weight of 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 272.04 g/mol.
Where can I buy 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.