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

C11H14N4O4S — CID 81423518

IUPAC3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H14N4O4S/c1-6-9(11(16)17)12-7(2)10(6)20(18,19)14-8-4-5-15(3)13-8/h4-5,12H,1-3H3,(H,13,14)(H,16,17)
InChIKeyFQPUFUTZCOUAFJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.86
Rot. Bonds4

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

3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 81423518) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID81423518
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C11H14N4O4S/c1-6-9(11(16)17)12-7(2)10(6)20(18,19)14-8-4-5-15(3)13-8/h4-5,12H,1-3H3,(H,13,14)(H,16,17)
InChIKeyFQPUFUTZCOUAFJ-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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Related Compounds

3,5-dimethyl-4-(pyridazin-3-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 116786421
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
4-[(5-bromo-2-pyridinyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428200
3,5-dimethyl-4-(pyrimidin-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423429
5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934269
3,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81428599
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54920333
3,5-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81435433
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 79589626
2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60712743
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703802

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 81423518) is 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)Nc1ccn(C)n1.
What is the InChIKey of 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is FQPUFUTZCOUAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-6-9(11(16)17)12-7(2)10(6)20(18,19)14-8-4-5-15(3)13-8/h4-5,12H,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
3,5-dimethyl-4-[(1-methylpyrazol-3-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 3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 81423518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).