AC1O1KAQ structure

AC1O1KAQ

5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Also Known As: AK-968/41026090|5-(4-bromophenyl)-N-{3-(4-ethoxyphenoxy)-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide|5-(4-bromophenyl)-N-(3-(4-ethoxyphenoxy)-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide|5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide|5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

CAS: 445246-17-3
Molecular Formula C28H23BrF3N5O5
Molecular Weight 645.0835 g/mol
LogP 7.6574
Topological Polar Surface Area 120.55 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 645.0835
Monoisotopic Mass 645.0835
Heavy Atoms 42
Complexity 1609.9172

Chemical Identifiers

CAS Number 445246-17-3
SMILES CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C4NC(CC(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)Br

Product Overview

AC1O1KAQ (CAS 445246-17-3), with molecular formula C28H23BrF3N5O5 and molecular weight 645.0835 g/mol. IUPAC: 5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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