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89433-96-5 | 1H-Pyrazole-4-carboxamide, 5-amino-N-hydroxy-1-(2-methylphenyl)-
CAS No: 89433-96-5 Catalog No: AG0044QH MDL No:
Product Description
Catalog Number:
AG0044QH
Chemical Name:
1H-Pyrazole-4-carboxamide, 5-amino-N-hydroxy-1-(2-methylphenyl)-
CAS Number:
89433-96-5
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
IUPAC Name:
5-amino-N-hydroxy-1-(2-methylphenyl)pyrazole-4-carboxamide
InChI:
InChI=1S/C11H12N4O2/c1-7-4-2-3-5-9(7)15-10(12)8(6-13-15)11(16)14-17/h2-6,17H,12H2,1H3,(H,14,16)
InChI Key:
SDGMFRUHMLEMCA-UHFFFAOYSA-N
SMILES:
ONC(=O)c1cnn(c1N)c1ccccc1C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.243g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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