1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
TL;DR: 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005705-39-4) is a chemical compound with molecular formula C16H15F3N6O3 and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
Also Known As: 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide, 1-METHYL-N-(7-MORPHOLINO-2,1,3-BENZOXADIAZOL-4-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXAMIDE, 1-methyl-N-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
| Molecular Formula | C16H15F3N6O3 |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 2.064 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.11578 |
| Heavy Atoms | 28 |
| Complexity | 1022.4687 |
Chemical Identifiers
| CAS Number | 1005705-39-4 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(=O)NC2=CC=C(C3=NON=C23)N4CCOCC4)C(F)(F)F |
Product Overview
1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005705-39-4), with molecular formula C16H15F3N6O3 and molecular weight 396.12 g/mol. IUPAC: 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
Chemical Property Profile of 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
Property Insights of 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
The XLogP value of 2.064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 7 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-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The CAS number of 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is 1005705-39-4.
What is the molecular formula of 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular formula of 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is C16H15F3N6O3.
What is the molecular weight of 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular weight of 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is 396.12 g/mol.
Where can I buy 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
You can request a quote for 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-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 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.