5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H13N3O5S — CID 60912059

IUPAC5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1ccc(C(C)NS(=O)(=O)c2[nH]ncc2C(=O)O)o1
InChIInChI=1S/C11H13N3O5S/c1-6-3-4-9(19-6)7(2)14-20(17,18)10-8(11(15)16)5-12-13-10/h3-5,7,14H,1-2H3,(H,12,13)(H,15,16)
InChIKeyMJWWMVWXDMXQPU-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.05
Rot. Bonds5

About 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60912059) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60912059
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1ccc(C(C)NS(=O)(=O)c2[nH]ncc2C(=O)O)o1
InChIInChI=1S/C11H13N3O5S/c1-6-3-4-9(19-6)7(2)14-20(17,18)10-8(11(15)16)5-12-13-10/h3-5,7,14H,1-2H3,(H,12,13)(H,15,16)
InChIKeyMJWWMVWXDMXQPU-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60912059) is 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is Cc1ccc(C(C)NS(=O)(=O)c2[nH]ncc2C(=O)O)o1.
What is the InChIKey of 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is MJWWMVWXDMXQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-6-3-4-9(19-6)7(2)14-20(17,18)10-8(11(15)16)5-12-13-10/h3-5,7,14H,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60912059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).