5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid

C7H11N3O4S — CID 63840013

IUPAC5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid
SMILESCCCc1[nH]nc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C7H11N3O4S/c1-2-3-4-6(15(8,13)14)5(7(11)12)10-9-4/h2-3H2,1H3,(H,9,10)(H,11,12)(H2,8,13,14)
InChIKeyUGDFKGRZZHHJLQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.29
Rot. Bonds4

About 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid

5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid (PubChem CID 63840013) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid
PubChem CID63840013
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid
SMILESCCCc1[nH]nc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C7H11N3O4S/c1-2-3-4-6(15(8,13)14)5(7(11)12)10-9-4/h2-3H2,1H3,(H,9,10)(H,11,12)(H2,8,13,14)
InChIKeyUGDFKGRZZHHJLQ-UHFFFAOYSA-N
XLogP-0.29
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-propyl-4-sulfamoyl-1H-pyrazole-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 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid (CID 63840013) is 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid is CCCc1[nH]nc(C(=O)O)c1S(N)(=O)=O.
What is the InChIKey of 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is UGDFKGRZZHHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-2-3-4-6(15(8,13)14)5(7(11)12)10-9-4/h2-3H2,1H3,(H,9,10)(H,11,12)(H2,8,13,14).
What are the key properties of 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid?
5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 63840013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).