4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H14N4O4S — CID 43208788

IUPAC4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)n1nccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H14N4O4S/c1-7(2)15-10(3-4-13-15)14-20(18,19)8-5-9(11(16)17)12-6-8/h3-7,12,14H,1-2H3,(H,16,17)
InChIKeyRXSCFCZLOPVCQZ-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.29
Rot. Bonds5

About 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43208788) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43208788
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)n1nccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H14N4O4S/c1-7(2)15-10(3-4-13-15)14-20(18,19)8-5-9(11(16)17)12-6-8/h3-7,12,14H,1-2H3,(H,16,17)
InChIKeyRXSCFCZLOPVCQZ-UHFFFAOYSA-N
XLogP1.29
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43208788) is 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CC(C)n1nccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is RXSCFCZLOPVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-7(2)15-10(3-4-13-15)14-20(18,19)8-5-9(11(16)17)12-6-8/h3-7,12,14H,1-2H3,(H,16,17).
What are the key properties of 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43208788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).