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143810-64-4 | Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5,7-bis(trifluoromethyl)-
CAS No: 143810-64-4 Catalog No: AG001IEJ MDL No:
Product Description
Catalog Number:
AG001IEJ
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5,7-bis(trifluoromethyl)-
CAS Number:
143810-64-4
Molecular Formula:
C9H4F6N4O
Molecular Weight:
298.1447
IUPAC Name:
5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
InChI:
InChI=1S/C9H4F6N4O/c10-8(11,12)4-1-5(9(13,14)15)19-7(18-4)3(2-17-19)6(16)20/h1-2H,(H2,16,20)
InChI Key:
CMQQDFQCTGOTQF-UHFFFAOYSA-N
SMILES:
NC(=O)c1cnn2c1nc(cc2C(F)(F)F)C(F)(F)F
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.148g/mol
Monoisotopic Mass:
298.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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