5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C9H13N3O5S — CID 114118897

IUPAC5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOC1CC(NS(=O)(=O)c2[nH]ncc2C(=O)O)C1
InChIInChI=1S/C9H13N3O5S/c1-17-6-2-5(3-6)12-18(15,16)8-7(9(13)14)4-10-11-8/h4-6,12H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyAHNXFLLCFSRZLA-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.44
Rot. Bonds5

About 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 114118897) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID114118897
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOC1CC(NS(=O)(=O)c2[nH]ncc2C(=O)O)C1
InChIInChI=1S/C9H13N3O5S/c1-17-6-2-5(3-6)12-18(15,16)8-7(9(13)14)4-10-11-8/h4-6,12H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyAHNXFLLCFSRZLA-UHFFFAOYSA-N
XLogP-0.44
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-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-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 114118897) is 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is COC1CC(NS(=O)(=O)c2[nH]ncc2C(=O)O)C1.
What is the InChIKey of 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is AHNXFLLCFSRZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-17-6-2-5(3-6)12-18(15,16)8-7(9(13)14)4-10-11-8/h4-6,12H,2-3H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 114118897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).