1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

C11H14N4O4S — CID 61284111

IUPAC1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCc2ccn[nH]2)cc1C(=O)O
InChIInChI=1S/C11H14N4O4S/c1-2-15-7-9(5-10(15)11(16)17)20(18,19)13-6-8-3-4-12-14-8/h3-5,7,13H,2,6H2,1H3,(H,12,14)(H,16,17)
InChIKeyZKARIOCVYPUWNZ-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.41
Rot. Bonds6

About 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 61284111) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID61284111
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCc2ccn[nH]2)cc1C(=O)O
InChIInChI=1S/C11H14N4O4S/c1-2-15-7-9(5-10(15)11(16)17)20(18,19)13-6-8-3-4-12-14-8/h3-5,7,13H,2,6H2,1H3,(H,12,14)(H,16,17)
InChIKeyZKARIOCVYPUWNZ-UHFFFAOYSA-N
XLogP0.41
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (CID 61284111) is 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NCc2ccn[nH]2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is ZKARIOCVYPUWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-2-15-7-9(5-10(15)11(16)17)20(18,19)13-6-8-3-4-12-14-8/h3-5,7,13H,2,6H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 61284111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).