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41372-93-4 | 1-benzyl-1H,4H,5H-pyrazolo[4,3-c]pyridin-4-one
CAS No: 41372-93-4 Catalog No: AG00IKPG MDL No:MFCD27994697
Product Description
Catalog Number:
AG00IKPG
Chemical Name:
1-benzyl-1H,4H,5H-pyrazolo[4,3-c]pyridin-4-one
CAS Number:
41372-93-4
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
MDL Number:
MFCD27994697
IUPAC Name:
1-benzyl-5H-pyrazolo[4,3-c]pyridin-4-one
InChI:
InChI=1S/C13H11N3O/c17-13-11-8-15-16(12(11)6-7-14-13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,17)
InChI Key:
ZTYSJFGAKMUYSH-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1cnn2Cc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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