5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C11H12N4O4S — CID 60910649

IUPAC5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C11H12N4O4S/c16-11(17)9-7-13-15-10(9)20(18,19)14-6-4-8-3-1-2-5-12-8/h1-3,5,7,14H,4,6H2,(H,13,15)(H,16,17)
InChIKeyGLJZNNOSROULII-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.02
Rot. Bonds6

About 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 60910649) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID60910649
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C11H12N4O4S/c16-11(17)9-7-13-15-10(9)20(18,19)14-6-4-8-3-1-2-5-12-8/h1-3,5,7,14H,4,6H2,(H,13,15)(H,16,17)
InChIKeyGLJZNNOSROULII-UHFFFAOYSA-N
XLogP0.02
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
5-(3-cyanopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62665860
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
5-propyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 74231466
2,5-diphenyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-sulfonamide
CID 3783294
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 60910649) is 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is GLJZNNOSROULII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c16-11(17)9-7-13-15-10(9)20(18,19)14-6-4-8-3-1-2-5-12-8/h1-3,5,7,14H,4,6H2,(H,13,15)(H,16,17).
What are the key properties of 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 296.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60910649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).