1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid

C11H14N4O4S — CID 43644624

IUPAC1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)Nc2cnn(C)c2)cc1C(=O)O
InChIInChI=1S/C11H14N4O4S/c1-3-15-7-9(4-10(15)11(16)17)20(18,19)13-8-5-12-14(2)6-8/h4-7,13H,3H2,1-2H3,(H,16,17)
InChIKeyIXOZJMPZWBGMAR-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.74
Rot. Bonds5

About 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid

1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 43644624) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID43644624
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)Nc2cnn(C)c2)cc1C(=O)O
InChIInChI=1S/C11H14N4O4S/c1-3-15-7-9(4-10(15)11(16)17)20(18,19)13-8-5-12-14(2)6-8/h4-7,13H,3H2,1-2H3,(H,16,17)
InChIKeyIXOZJMPZWBGMAR-UHFFFAOYSA-N
XLogP0.74
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644623
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60785742
1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644573
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573
1-ethyl-4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrrole-2-carboxylic acid
CID 106019286
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid (CID 43644624) is 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)Nc2cnn(C)c2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is IXOZJMPZWBGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-3-15-7-9(4-10(15)11(16)17)20(18,19)13-8-5-12-14(2)6-8/h4-7,13H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).