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178880-00-7 | 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-[(2-pyridinylamino)sulfonyl]-, ethyl ester
CAS No: 178880-00-7 Catalog No: AG0026FP MDL No:
Product Description
Catalog Number:
AG0026FP
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-[(2-pyridinylamino)sulfonyl]-, ethyl ester
CAS Number:
178880-00-7
Molecular Formula:
C12H14N4O4S
Molecular Weight:
310.3290
IUPAC Name:
ethyl 1-methyl-3-(pyridin-2-ylsulfamoyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H14N4O4S/c1-3-20-12(17)9-8-16(2)14-11(9)21(18,19)15-10-6-4-5-7-13-10/h4-8H,3H2,1-2H3,(H,13,15)
InChI Key:
XMFYKSLMYIDOFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(nc1S(=O)(=O)Nc1ccccn1)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.328g/mol
Monoisotopic Mass:
310.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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