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89819-56-7 | Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 5-(3-pyridinyl)-
CAS No: 89819-56-7 Catalog No: AG003XUT MDL No:
Product Description
Catalog Number:
AG003XUT
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 5-(3-pyridinyl)-
CAS Number:
89819-56-7
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
IUPAC Name:
5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C11H8N4O/c16-11-6-9(8-2-1-4-12-7-8)14-10-3-5-13-15(10)11/h1-7,13H
InChI Key:
NEXUCMRROMKSQF-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c2n1ncc2)c1cccnc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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