4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H14N4O4S — CID 43361762

IUPAC4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H14N4O4S/c1-6-10(7(2)15(3)13-6)14-20(18,19)8-4-9(11(16)17)12-5-8/h4-5,12,14H,1-3H3,(H,16,17)
InChIKeyWCCJDTZVHFQFOI-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.86
Rot. Bonds4

About 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43361762) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43361762
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H14N4O4S/c1-6-10(7(2)15(3)13-6)14-20(18,19)8-4-9(11(16)17)12-5-8/h4-5,12,14H,1-3H3,(H,16,17)
InChIKeyWCCJDTZVHFQFOI-UHFFFAOYSA-N
XLogP0.86
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43361762) is 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Cc1nn(C)c(C)c1NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is WCCJDTZVHFQFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-6-10(7(2)15(3)13-6)14-20(18,19)8-4-9(11(16)17)12-5-8/h4-5,12,14H,1-3H3,(H,16,17).
What are the key properties of 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43361762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).