2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid

C11H13N3O5S — CID 61283531

IUPAC2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCc2ccn[nH]2)c1C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-6-9(11(15)16)10(7(2)19-6)20(17,18)13-5-8-3-4-12-14-8/h3-4,13H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyJWSMJPWFCFCTDT-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.80
Rot. Bonds5

About 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid

2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid (PubChem CID 61283531) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid
PubChem CID61283531
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCc2ccn[nH]2)c1C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-6-9(11(15)16)10(7(2)19-6)20(17,18)13-5-8-3-4-12-14-8/h3-4,13H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyJWSMJPWFCFCTDT-UHFFFAOYSA-N
XLogP0.80
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid (CID 61283531) is 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NCc2ccn[nH]2)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is JWSMJPWFCFCTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-6-9(11(15)16)10(7(2)19-6)20(17,18)13-5-8-3-4-12-14-8/h3-4,13H,5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid?
2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 61283531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).