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90004-04-9 | 1H-Indazole-3-carboxamide
CAS No: 90004-04-9 Catalog No: AG003EEA MDL No:MFCD09033803
Product Description
Catalog Number:
AG003EEA
Chemical Name:
1H-Indazole-3-carboxamide
CAS Number:
90004-04-9
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD09033803
IUPAC Name:
1H-indazole-3-carboxamide
InChI:
InChI=1S/C8H7N3O/c9-8(12)7-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,9,12)(H,10,11)
InChI Key:
DITBWPUMEUDVLU-UHFFFAOYSA-N
SMILES:
NC(=O)c1n[nH]c2c1cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Design and synthesis of N-substituted indazole-3-carboxamides as poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors(†). | Chemical biology & drug design 20120401 |
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