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

C7H11F3N4O2S — CID 60892700

IUPAC3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C7H11F3N4O2S/c1-13-3-5(6(11)12-13)17(15,16)14(2)4-7(8,9)10/h3H,4H2,1-2H3,(H2,11,12)
InChIKeyNCCVXZOUIIKLKX-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.19
Rot. Bonds3

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

3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 60892700) has the molecular formula C7H11F3N4O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID60892700
Molecular FormulaC7H11F3N4O2S
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C7H11F3N4O2S/c1-13-3-5(6(11)12-13)17(15,16)14(2)4-7(8,9)10/h3H,4H2,1-2H3,(H2,11,12)
InChIKeyNCCVXZOUIIKLKX-UHFFFAOYSA-N
XLogP0.19
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-N,1-dimethyl-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,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 60892700) is 3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is NCCVXZOUIIKLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S/c1-13-3-5(6(11)12-13)17(15,16)14(2)4-7(8,9)10/h3H,4H2,1-2H3,(H2,11,12).
What are the key properties of 3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 272.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60892700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).