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178879-99-7 | 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-[(methyl-3-pyridinylamino)sulfonyl]-
CAS No: 178879-99-7 Catalog No: AG0026FQ MDL No:
Product Description
Catalog Number:
AG0026FQ
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-[(methyl-3-pyridinylamino)sulfonyl]-
CAS Number:
178879-99-7
Molecular Formula:
C11H12N4O4S
Molecular Weight:
296.3024
IUPAC Name:
1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H12N4O4S/c1-14-7-9(11(16)17)10(13-14)20(18,19)15(2)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,16,17)
InChI Key:
BAFJKCZCPKPQQN-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)S(=O)(=O)N(c1cccnc1)C)C(=O)O
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.301g/mol
Monoisotopic Mass:
296.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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