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645417-67-0 | 1H-Pyrazolo[4,3-c]isoquinoline, 3,5-diphenyl-
CAS No: 645417-67-0 Catalog No: AG00H60T MDL No:
Product Description
Catalog Number:
AG00H60T
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3,5-diphenyl-
CAS Number:
645417-67-0
Molecular Formula:
C22H15N3
Molecular Weight:
321.3746
IUPAC Name:
3,5-diphenyl-1H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C22H15N3/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-22(23-19)20(24-25-21)16-11-5-2-6-12-16/h1-14H,(H,24,25)
InChI Key:
FNODRXOTAQKAHC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc2c(n[nH]c2c2c1cccc2)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.383g/mol
Monoisotopic Mass:
321.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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