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

C11H13N3O5S — CID 62803443

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H13N3O5S/c1-5-10(6(2)13-12-5)14-20(17,18)9-4-8(11(15)16)19-7(9)3/h4,14H,1-3H3,(H,12,13)(H,15,16)
InChIKeyIVEHRKVIJFENFK-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.43
Rot. Bonds4

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

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62803443) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62803443
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H13N3O5S/c1-5-10(6(2)13-12-5)14-20(17,18)9-4-8(11(15)16)19-7(9)3/h4,14H,1-3H3,(H,12,13)(H,15,16)
InChIKeyIVEHRKVIJFENFK-UHFFFAOYSA-N
XLogP1.43
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62803443) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is IVEHRKVIJFENFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-5-10(6(2)13-12-5)14-20(17,18)9-4-8(11(15)16)19-7(9)3/h4,14H,1-3H3,(H,12,13)(H,15,16).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62803443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).