1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
TL;DR: 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 955976-41-7) is a chemical compound with molecular formula C14H16F3N3O2 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 1-tert-butyl-N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide, 4X-0859, 1-tert-butyl-N-[(furan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
| Molecular Formula | C14H16F3N3O2 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 3.1799 |
| Topological Polar Surface Area | 60.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.11948 |
| Heavy Atoms | 22 |
| Complexity | 651.91644 |
Chemical Identifiers
| CAS Number | 955976-41-7 |
|---|---|
| SMILES | CC(C)(C)N1C(=C(C=N1)C(=O)NCC2=CC=CO2)C(F)(F)F |
Product Overview
1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 955976-41-7), with molecular formula C14H16F3N3O2 and molecular weight 315.12 g/mol. IUPAC: 1-tert-butyl-N-(furan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Property Insights of 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
The XLogP value of 3.1799 indicates that 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide. Following Lipinski's Rule of Five, 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has 1 hydrogen bond donor(s) and 3 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-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The CAS number of 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 955976-41-7.
What is the molecular formula of 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular formula of 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C14H16F3N3O2.
What is the molecular weight of 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular weight of 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 315.12 g/mol.
Where can I buy 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
You can request a quote for 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-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-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.