1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS 925199-97-9) is a chemical compound with molecular formula C5H4F2N2O2 and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethyl)pyrazole-3-carboxylic acid
Also Known As: 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid, 2-(difluoromethyl)pyrazole-3-carboxylic acid, 2-Difluoromethyl-2H-pyrazole-3-carboxylic acid, BAS 06502683, 2-difluoromethyl-2 h-pyrazole-3-carboxylic acid
| Molecular Formula | C5H4F2N2O2 |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | 0.9764 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.02408 |
| Heavy Atoms | 11 |
| Complexity | 271.20105 |
Chemical Identifiers
| CAS Number | 925199-97-9 |
|---|---|
| SMILES | C1=C(N(N=C1)C(F)F)C(=O)O |
Product Overview
1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS 925199-97-9), with molecular formula C5H4F2N2O2 and molecular weight 162.02 g/mol. IUPAC: 2-(difluoromethyl)pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 0.9764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(difluoromethyl)-1H-pyrazole-5-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 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid is 925199-97-9.
What is the molecular formula of 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid is C5H4F2N2O2.
What is the molecular weight of 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid is 162.02 g/mol.
Where can I buy 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.