1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- (CAS 96723-19-2) is a chemical compound with molecular formula C18H10F3N3O6 and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-, 1H-Pyrazole-3,4-dicarboxylicacid, 5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-, 5-(4-Nitrophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3,4-dicarboxylic acid, 5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid
| Molecular Formula | C18H10F3N3O6 |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.05215 |
| Heavy Atoms | 30 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 96723-19-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F |
| InChIKey | MNNRLXAATAPGTD-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- (CAS 96723-19-2), with molecular formula C18H10F3N3O6 and molecular weight 421.05 g/mol. IUPAC: 5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-
The XLogP value of 3.7 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- has 2 hydrogen bond donor(s) and 10 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 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- is 96723-19-2.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- is C18H10F3N3O6.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- is 421.05 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.