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824968-58-3 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(3-methylphenyl)-
CAS No: 824968-58-3 Catalog No: AG00581F MDL No:
Product Description
Catalog Number:
AG00581F
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(3-methylphenyl)-
CAS Number:
824968-58-3
Molecular Formula:
C18H15N3
Molecular Weight:
273.3318
IUPAC Name:
3-methyl-5-(3-methylphenyl)-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C18H15N3/c1-11-6-5-7-13(10-11)17-14-8-3-4-9-15(14)18-16(19-17)12(2)20-21-18/h3-10H,1-2H3,(H,20,21)
InChI Key:
YYUKJJJNDUPIRR-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
372
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:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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