N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide

C6H11N3O2S — CID 63820794

IUPACN-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C6H11N3O2S/c1-3-12(10,11)9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H2,7,8,9)
InChIKeySMLXAHLVYZGKGP-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.48
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide

N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide (PubChem CID 63820794) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide
PubChem CID63820794
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C6H11N3O2S/c1-3-12(10,11)9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H2,7,8,9)
InChIKeySMLXAHLVYZGKGP-UHFFFAOYSA-N
XLogP0.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide 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 N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide (CID 63820794) is N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide?
The InChIKey is SMLXAHLVYZGKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-3-12(10,11)9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 63820794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).