3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C8H13F3N4O2S — CID 55006939

IUPAC3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H13F3N4O2S/c1-3-15(5-8(9,10)11)18(16,17)6-4-14(2)13-7(6)12/h4H,3,5H2,1-2H3,(H2,12,13)
InChIKeyYGNXEJSHPXCIIS-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.58
Rot. Bonds4

About 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 55006939) has the molecular formula C8H13F3N4O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID55006939
Molecular FormulaC8H13F3N4O2S
Molecular Weight286.28 g/mol
Exact Mass286.07
IUPAC Name3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H13F3N4O2S/c1-3-15(5-8(9,10)11)18(16,17)6-4-14(2)13-7(6)12/h4H,3,5H2,1-2H3,(H2,12,13)
InChIKeyYGNXEJSHPXCIIS-UHFFFAOYSA-N
XLogP0.58
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)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-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 55006939) is 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is YGNXEJSHPXCIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S/c1-3-15(5-8(9,10)11)18(16,17)6-4-14(2)13-7(6)12/h4H,3,5H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55006939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).