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2059950-01-3 | 1-benzyl-4-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS No: 2059950-01-3 Catalog No: AG01BO2H MDL No:MFCD30498629
Product Description
Catalog Number:
AG01BO2H
Chemical Name:
1-benzyl-4-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS Number:
2059950-01-3
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
MDL Number:
MFCD30498629
IUPAC Name:
1-benzyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C14H17N3O/c1-10-7-15-8-12-13(10)14(18)16-17(12)9-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H,16,18)
InChI Key:
YFAYMPJMPOBEMV-UHFFFAOYSA-N
SMILES:
CC1CNCc2c1c(O)nn2Cc1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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