AC1MFI5I
methyl 2-[[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate
Also Known As: methyl 2-({[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate|methyl 2-(5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamido)benzoate|methyl 2-[[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate|METHYL 2-[5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-AMIDO]BENZOATE|methyl 2-{[5-(2-thienyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidin-3 -yl]carbonylamino}benzoate
| Molecular Formula | C20H13F3N4O3S |
|---|---|
| Molecular Weight | 446.06604 g/mol |
| LogP | 4.5155 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.06604 |
| Monoisotopic Mass | 446.06604 |
| Heavy Atoms | 31 |
| Complexity | 1282.8099 |
Chemical Identifiers
| CAS Number | 313397-07-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4 |
Product Overview
AC1MFI5I (CAS 313397-07-8), with molecular formula C20H13F3N4O3S and molecular weight 446.06604 g/mol. IUPAC: methyl 2-[[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate.
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