1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
TL;DR: 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CAS 98534-40-8) is a chemical compound with molecular formula C11H8F3N3O and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide, 1H-Pyrazole-4-carboxamide, 1-phenyl-5-(trifluoromethyl)-, 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide
| Molecular Formula | C11H8F3N3O |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.06195 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 98534-40-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)C(F)(F)F |
| InChIKey | CRMKSYGNRJQTAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CAS 98534-40-8), with molecular formula C11H8F3N3O and molecular weight 255.06 g/mol. IUPAC: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Property Insights of 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide. Following Lipinski's Rule of Five, 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has 1 hydrogen bond donor(s) and 5 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-5-(trifluoromethyl)pyrazole-4-carboxamide?
The CAS number of 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is 98534-40-8.
What is the molecular formula of 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The molecular formula of 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is C11H8F3N3O.
What is the molecular weight of 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The molecular weight of 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is 255.06 g/mol.
Where can I buy 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
You can request a quote for 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.