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86969-31-5 | Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 4-ethyl-2-phenyl-
CAS No: 86969-31-5 Catalog No: AG004L3O MDL No:
Product Description
Catalog Number:
AG004L3O
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 4-ethyl-2-phenyl-
CAS Number:
86969-31-5
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
4-ethyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C14H13N3O/c1-2-16-13-10-12(11-6-4-3-5-7-11)15-17(13)9-8-14(16)18/h3-10H,2H2,1H3
InChI Key:
KTJIDXZCZCVRAY-UHFFFAOYSA-N
SMILES:
CCn1c(=O)ccn2c1cc(n2)c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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