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824968-44-7 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-ethyl-5-phenyl-
CAS No: 824968-44-7 Catalog No: AG00581J MDL No:
Product Description
Catalog Number:
AG00581J
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-ethyl-5-phenyl-
CAS Number:
824968-44-7
Molecular Formula:
C18H15N3
Molecular Weight:
273.3318
IUPAC Name:
3-ethyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C18H15N3/c1-2-15-18-17(21-20-15)14-11-7-6-10-13(14)16(19-18)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,20,21)
InChI Key:
WULOSWLQPBTFKL-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c2c1nc(c1ccccc1)c1c2cccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.339g/mol
Monoisotopic Mass:
273.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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