5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C12H13N3O4S — CID 60910761

IUPAC5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C12H13N3O4S/c1-2-15(9-6-4-3-5-7-9)20(18,19)11-10(12(16)17)8-13-14-11/h3-8H,2H2,1H3,(H,13,14)(H,16,17)
InChIKeyANVMQPBATAQAFN-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.32
Rot. Bonds5

About 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60910761) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60910761
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C12H13N3O4S/c1-2-15(9-6-4-3-5-7-9)20(18,19)11-10(12(16)17)8-13-14-11/h3-8H,2H2,1H3,(H,13,14)(H,16,17)
InChIKeyANVMQPBATAQAFN-UHFFFAOYSA-N
XLogP1.32
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950091
5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950268
5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107397572
5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950521
5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951166
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950374
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114948674
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747558
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60910761) is 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CCN(c1ccccc1)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is ANVMQPBATAQAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-2-15(9-6-4-3-5-7-9)20(18,19)11-10(12(16)17)8-13-14-11/h3-8H,2H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60910761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).