3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide

C10H16N4O2S — CID 63999689

IUPAC3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C10H16N4O2S/c1-5-10(3,4)13-17(15,16)8-7-14(6-2)12-9(8)11/h1,7,13H,6H2,2-4H3,(H2,11,12)
InChIKeyZWMPWQIRVLPHQX-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.18
Rot. Bonds4

About 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide (PubChem CID 63999689) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
PubChem CID63999689
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C10H16N4O2S/c1-5-10(3,4)13-17(15,16)8-7-14(6-2)12-9(8)11/h1,7,13H,6H2,2-4H3,(H2,11,12)
InChIKeyZWMPWQIRVLPHQX-UHFFFAOYSA-N
XLogP0.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide 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 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide (CID 63999689) is 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide is C#CC(C)(C)NS(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide?
The InChIKey is ZWMPWQIRVLPHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-5-10(3,4)13-17(15,16)8-7-14(6-2)12-9(8)11/h1,7,13H,6H2,2-4H3,(H2,11,12).
What are the key properties of 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 63999689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).