2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide

C10H16F3N3O2S — CID 90588679

IUPAC2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2S/c1-8(2)7-19(17,18)14-4-6-16-5-3-9(15-16)10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3
InChIKeyNIJPQSFSVFJQFL-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.48
Rot. Bonds6

About 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide

2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide (PubChem CID 90588679) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide
PubChem CID90588679
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC Name2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2S/c1-8(2)7-19(17,18)14-4-6-16-5-3-9(15-16)10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3
InChIKeyNIJPQSFSVFJQFL-UHFFFAOYSA-N
XLogP1.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-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 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide (CID 90588679) is 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide is CC(C)CS(=O)(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide?
The InChIKey is NIJPQSFSVFJQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c1-8(2)7-19(17,18)14-4-6-16-5-3-9(15-16)10(11,12)13/h3,5,8,14H,4,6-7H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide?
2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide has a molecular weight of 299.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 90588679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).