1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole
TL;DR: 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole (CAS 76474-35-6) is a chemical compound with molecular formula C11H7F3N4 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: 1-phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole, BAS 00567633, 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonitrile, 5-amino-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-Amino-1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carbonitrile
| Molecular Formula | C11H7F3N4 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.06229 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 76474-35-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)N |
| InChIKey | AAMDAAIUTDGNJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole (CAS 76474-35-6), with molecular formula C11H7F3N4 and molecular weight 252.06 g/mol. IUPAC: 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole
Property Insights of 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole. Following Lipinski's Rule of Five, 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole 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 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole?
The CAS number of 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole is 76474-35-6.
What is the molecular formula of 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole?
The molecular formula of 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole is C11H7F3N4.
What is the molecular weight of 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole?
The molecular weight of 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole is 252.06 g/mol.
Where can I buy 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole?
You can request a quote for 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-trifluoromethyl-4-cyano-5-aminopyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.