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89819-58-9 | Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-phenyl-5-(3-pyridinyl)-
CAS No: 89819-58-9 Catalog No: AG003Y08 MDL No:
Product Description
Catalog Number:
AG003Y08
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 3-phenyl-5-(3-pyridinyl)-
CAS Number:
89819-58-9
Molecular Formula:
C17H12N4O
Molecular Weight:
288.3034
IUPAC Name:
3-phenyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C17H12N4O/c22-16-9-15(13-7-4-8-18-10-13)20-17-14(11-19-21(16)17)12-5-2-1-3-6-12/h1-11,19H
InChI Key:
MFAJGEPZVXTQAA-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c2n1ncc2c1ccccc1)c1cccnc1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.31g/mol
Monoisotopic Mass:
288.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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