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645417-84-1 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(phenylmethyl)-
CAS No: 645417-84-1 Catalog No: AG00H5TE MDL No:
Product Description
Catalog Number:
AG00H5TE
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(phenylmethyl)-
CAS Number:
645417-84-1
Molecular Formula:
C18H15N3
Molecular Weight:
273.3318
IUPAC Name:
5-benzyl-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C18H15N3/c1-12-17-18(21-20-12)15-10-6-5-9-14(15)16(19-17)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21)
InChI Key:
MKFSJKOYMVRYSC-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1nc(Cc1ccccc1)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:
4.2
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