Home Carboxys 1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid

1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid

CAS No.:
159709-49-6
Catalog Number:
AG01B3W4
Molecular Formula:
C5H7N3O4S
Molecular Weight:
205.1918
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Product Description
Catalog Number:
AG01B3W4
Chemical Name:
1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid
CAS Number:
159709-49-6
Molecular Formula:
C5H7N3O4S
Molecular Weight:
205.1918
MDL Number:
MFCD31559790
IUPAC Name:
1-methyl-5-sulfamoylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C5H7N3O4S/c1-8-4(13(6,11)12)3(2-7-8)5(9)10/h2H,1H3,(H,9,10)(H2,6,11,12)
InChI Key:
RAAKEGYURSEFHE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1S(=O)(=O)N)C
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.016g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.188g/mol
Monoisotopic Mass:
205.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties