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

C10H11N3O5S — CID 43547662

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H11N3O5S/c1-5-9(6(2)12-11-5)13-19(16,17)8-4-3-7(18-8)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15)
InChIKeyUUAULOOJKRCBBD-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.12
Rot. Bonds4

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

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43547662) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43547662
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H11N3O5S/c1-5-9(6(2)12-11-5)13-19(16,17)8-4-3-7(18-8)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15)
InChIKeyUUAULOOJKRCBBD-UHFFFAOYSA-N
XLogP1.12
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (CID 43547662) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is UUAULOOJKRCBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-5-9(6(2)12-11-5)13-19(16,17)8-4-3-7(18-8)10(14)15/h3-4,13H,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43547662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).