1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide

C8H12F3N3O2S — CID 114827727

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCCc1nn(C)cc1C(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C8H12F3N3O2S/c1-3-6-5(4-14(2)13-6)7(8(9,10)11)17(12,15)16/h4,7H,3H2,1-2H3,(H2,12,15,16)
InChIKeyUTXDAQCJYJSSAA-UHFFFAOYSA-N
MW271.26 g/mol
LogP0.87
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide

1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 114827727) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
PubChem CID114827727
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCCc1nn(C)cc1C(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C8H12F3N3O2S/c1-3-6-5(4-14(2)13-6)7(8(9,10)11)17(12,15)16/h4,7H,3H2,1-2H3,(H2,12,15,16)
InChIKeyUTXDAQCJYJSSAA-UHFFFAOYSA-N
XLogP0.87
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide 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-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide (CID 114827727) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide is CCc1nn(C)cc1C(C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is UTXDAQCJYJSSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-3-6-5(4-14(2)13-6)7(8(9,10)11)17(12,15)16/h4,7H,3H2,1-2H3,(H2,12,15,16).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide?
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 271.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 114827727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).