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86969-32-6 | Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 2-phenyl-4-propyl-
CAS No: 86969-32-6 Catalog No: AG004O3M MDL No:
Product Description
Catalog Number:
AG004O3M
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 2-phenyl-4-propyl-
CAS Number:
86969-32-6
Molecular Formula:
C15H15N3O
Molecular Weight:
253.2991
IUPAC Name:
2-phenyl-4-propylpyrazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C15H15N3O/c1-2-9-17-14-11-13(12-6-4-3-5-7-12)16-18(14)10-8-15(17)19/h3-8,10-11H,2,9H2,1H3
InChI Key:
OVIUXULUHCUAMO-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)ccn2c1cc(n2)c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.305g/mol
Monoisotopic Mass:
253.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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