![5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid structure](/static/products/104/1046468-64-7.png)
5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid
TL;DR: 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid (CAS 1046468-64-7) is a chemical compound with molecular formula C11H8F2N2O3 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
Also Known As: 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid, 5-(4-(Difluoromethoxy)phenyl)-1H-pyrazole-3-carboxylic acid, 3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxylic acid, 5-(4-Difluoromethoxy-phenyl)-1H-pyrazole-3-carboxylic acid, 5-(4-Difluoromethoxy-phenyl)-1 H -pyrazole-3-carboxylic acid
| Molecular Formula | C11H8F2N2O3 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.3763 |
| Topological Polar Surface Area | 75.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0503 |
| Heavy Atoms | 18 |
| Complexity | 551.6709 |
Chemical Identifiers
| CAS Number | 1046468-64-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)OC(F)F |
Product Overview
5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid (CAS 1046468-64-7), with molecular formula C11H8F2N2O3 and molecular weight 254.05 g/mol. IUPAC: 3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid
Property Insights of 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.3763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid. The TPSA of 75.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid has 2 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 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid is 1046468-64-7.
What is the molecular formula of 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid is C11H8F2N2O3.
What is the molecular weight of 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid is 254.05 g/mol.
Where can I buy 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-[4-(difluoromethoxy)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-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.