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824968-86-7 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-(2,5-dimethyl-3-furanyl)-3-methyl-
CAS No: 824968-86-7 Catalog No: AG004ZFP MDL No:
Product Description
Catalog Number:
AG004ZFP
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-(2,5-dimethyl-3-furanyl)-3-methyl-
CAS Number:
824968-86-7
Molecular Formula:
C17H15N3O
Molecular Weight:
277.3205
IUPAC Name:
5-(2,5-dimethylfuran-3-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C17H15N3O/c1-9-8-14(11(3)21-9)16-12-6-4-5-7-13(12)17-15(18-16)10(2)19-20-17/h4-8H,1-3H3,(H,19,20)
InChI Key:
BGPRUPNMBAAPQN-UHFFFAOYSA-N
SMILES:
Cc1oc(c(c1)c1nc2c(C)n[nH]c2c2c1cccc2)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.327g/mol
Monoisotopic Mass:
277.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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