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645417-75-0 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-(3,5-dimethoxyphenyl)-3-methyl-
CAS No: 645417-75-0 Catalog No: AG00H5TH MDL No:
Product Description
Catalog Number:
AG00H5TH
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-(3,5-dimethoxyphenyl)-3-methyl-
CAS Number:
645417-75-0
Molecular Formula:
C19H17N3O2
Molecular Weight:
319.3572
IUPAC Name:
5-(3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C19H17N3O2/c1-11-17-19(22-21-11)16-7-5-4-6-15(16)18(20-17)12-8-13(23-2)10-14(9-12)24-3/h4-10H,1-3H3,(H,21,22)
InChI Key:
ISMUTCUBFQQUTI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)c1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.364g/mol
Monoisotopic Mass:
319.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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