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802919-13-7 | Pyrazolo[1,5-a]pyrimidin-6-ol, 1,3a-dihydro-2,3-diphenyl-
CAS No: 802919-13-7 Catalog No: AG0053PB MDL No:
Product Description
Catalog Number:
AG0053PB
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-6-ol, 1,3a-dihydro-2,3-diphenyl-
CAS Number:
802919-13-7
Molecular Formula:
C18H15N3O
Molecular Weight:
289.3312
IUPAC Name:
2,3-diphenyl-1,3a-dihydropyrazolo[1,5-a]pyrimidin-6-ol
InChI:
InChI=1S/C18H15N3O/c22-15-11-19-18-16(13-7-3-1-4-8-13)17(20-21(18)12-15)14-9-5-2-6-10-14/h1-12,18,20,22H
InChI Key:
QWOVKKVXMRPHPA-UHFFFAOYSA-N
SMILES:
OC1=CN2C(N=C1)C(=C(N2)c1ccccc1)c1ccccc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.338g/mol
Monoisotopic Mass:
289.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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