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Home > Fluorides > 115931-11-8
115931-11-8 | Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5-dihydro-7-[3-(trifluoromethyl)phenyl]-
CAS No: 115931-11-8 Catalog No: AG000H5A MDL No:MFCD00276603
Product Description
Catalog Number:
AG000H5A
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5-dihydro-7-[3-(trifluoromethyl)phenyl]-
CAS Number:
115931-11-8
Molecular Formula:
C14H11F3N4O
Molecular Weight:
308.2585
MDL Number:
MFCD00276603
IUPAC Name:
7-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
InChI:
InChI=1S/C14H11F3N4O/c15-14(16,17)9-3-1-2-8(6-9)11-4-5-19-13-10(12(18)22)7-20-21(11)13/h1-4,6-7,19H,5H2,(H2,18,22)
InChI Key:
KZFGNDBDCDFDSL-UHFFFAOYSA-N
SMILES:
NC(=O)c1cnn2c1NCC=C2c1cccc(c1)C(F)(F)F
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.264g/mol
Monoisotopic Mass:
308.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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