5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
TL;DR: 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole (CAS 86398-96-1) is a chemical compound with molecular formula C11H5Cl2F3N4 and molecular weight 319.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
Also Known As: Maybridge3_006546, IDI1_017933, 5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile, 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
| Molecular Formula | C11H5Cl2F3N4 |
|---|---|
| Molecular Weight | 319.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.98434 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 86398-96-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=C(C=N2)C#N)N)Cl)C(F)(F)F |
| InChIKey | YJHMXFBILMSTSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole (CAS 86398-96-1), with molecular formula C11H5Cl2F3N4 and molecular weight 319.98 g/mol. IUPAC: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
Property Insights of 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
The XLogP value of 4.0 indicates that 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole. Following Lipinski's Rule of Five, 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole has 1 hydrogen bond donor(s) and 6 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-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole?
The CAS number of 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole is 86398-96-1.
What is the molecular formula of 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole?
The molecular formula of 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole is C11H5Cl2F3N4.
What is the molecular weight of 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole?
The molecular weight of 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole is 319.98 g/mol.
Where can I buy 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole?
You can request a quote for 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.