Home Carboxys ethyl 7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

CAS No.:
886762-57-8
Catalog Number:
AG00IFBK
Molecular Formula:
C17H15F3N4O2
Molecular Weight:
364.3218
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Product Description
Catalog Number:
AG00IFBK
Chemical Name:
ethyl 7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Number:
886762-57-8
Molecular Formula:
C17H15F3N4O2
Molecular Weight:
364.3218
MDL Number:
MFCD06200917
IUPAC Name:
ethyl 7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C17H15F3N4O2/c1-3-26-16(25)12-8-22-15-13(9(2)23-24(15)14(12)21)10-5-4-6-11(7-10)17(18,19)20/h4-8H,3,21H2,1-2H3
InChI Key:
RVQVZEKEGZIUPY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2n(c1N)nc(c2c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.115g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
364.328g/mol
Monoisotopic Mass:
364.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties