1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C12H20F3N3O2S — CID 71997772

IUPAC1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C12H20F3N3O2S/c1-5-7-17(8-12(13,14)15)21(19,20)11-9(3)16-18(6-2)10(11)4/h5-8H2,1-4H3
InChIKeyLGQUWGLXXPSJSZ-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.48
Rot. Bonds6

About 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 71997772) has the molecular formula C12H20F3N3O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID71997772
Molecular FormulaC12H20F3N3O2S
Molecular Weight327.37 g/mol
Exact Mass327.12
IUPAC Name1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C12H20F3N3O2S/c1-5-7-17(8-12(13,14)15)21(19,20)11-9(3)16-18(6-2)10(11)4/h5-8H2,1-4H3
InChIKeyLGQUWGLXXPSJSZ-UHFFFAOYSA-N
XLogP2.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3,5-dimethyl-N-propyl-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 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 71997772) is 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1c(C)nn(CC)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is LGQUWGLXXPSJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2S/c1-5-7-17(8-12(13,14)15)21(19,20)11-9(3)16-18(6-2)10(11)4/h5-8H2,1-4H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 327.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71997772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).