4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
TL;DR: 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005656-26-7) is a chemical compound with molecular formula C11H6BrF3N4OS and molecular weight 377.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Also Known As: 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide, 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide, 4-BROMO-N-(3-CYANO-2-THIENYL)-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C11H6BrF3N4OS |
|---|---|
| Molecular Weight | 377.94 g/mol |
| LogP | 3.38688 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.9398 |
| Heavy Atoms | 21 |
| Complexity | 743.7129 |
Chemical Identifiers
| CAS Number | 1005656-26-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(=O)NC2=C(C=CS2)C#N)Br)C(F)(F)F |
Product Overview
4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005656-26-7), with molecular formula C11H6BrF3N4OS and molecular weight 377.94 g/mol. IUPAC: 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
Chemical Property Profile of 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Property Insights of 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
The XLogP value of 3.38688 indicates that 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 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 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The CAS number of 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 1005656-26-7.
What is the molecular formula of 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular formula of 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is C11H6BrF3N4OS.
What is the molecular weight of 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular weight of 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 377.94 g/mol.
Where can I buy 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
You can request a quote for 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(3-cyanothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.