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

C12H15N3O5S — CID 43547661

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-5-10(6(2)14-13-5)15-21(18,19)11-8(4)20-7(3)9(11)12(16)17/h15H,1-4H3,(H,13,14)(H,16,17)
InChIKeyNUIIBZGBPVKBAC-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.74
Rot. Bonds4

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

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 43547661) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
PubChem CID43547661
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-5-10(6(2)14-13-5)15-21(18,19)11-8(4)20-7(3)9(11)12(16)17/h15H,1-4H3,(H,13,14)(H,16,17)
InChIKeyNUIIBZGBPVKBAC-UHFFFAOYSA-N
XLogP1.74
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.74
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]-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (CID 43547661) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is Cc1n[nH]c(C)c1NS(=O)(=O)c1c(C)oc(C)c1C(=O)O.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is NUIIBZGBPVKBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-5-10(6(2)14-13-5)15-21(18,19)11-8(4)20-7(3)9(11)12(16)17/h15H,1-4H3,(H,13,14)(H,16,17).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 1.74, 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]-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 43547661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).