5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole

C8H11F3N2O2S — CID 146428144

IUPAC5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1CCS(C)(=O)=O
InChIInChI=1S/C8H11F3N2O2S/c1-6-5-7(8(9,10)11)12-13(6)3-4-16(2,14)15/h5H,3-4H2,1-2H3
InChIKeyVCXQUNCDVFOICZ-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.25
Rot. Bonds3

About 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole

5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 146428144) has the molecular formula C8H11F3N2O2S and a molecular weight of 256.25 g/mol. Its IUPAC name is 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole
PubChem CID146428144
Molecular FormulaC8H11F3N2O2S
Molecular Weight256.25 g/mol
Exact Mass256.05
IUPAC Name5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1CCS(C)(=O)=O
InChIInChI=1S/C8H11F3N2O2S/c1-6-5-7(8(9,10)11)12-13(6)3-4-16(2,14)15/h5H,3-4H2,1-2H3
InChIKeyVCXQUNCDVFOICZ-UHFFFAOYSA-N
XLogP1.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-[[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 53623307
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56780575
3,5-Dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 56780577
4-(3,5-Dimethylpyrazol-1-yl)-1-methylsulfonylpiperidine
CID 73439281
1-Ethyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)imide
CID 134716401
1-Propyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)imide
CID 134716428
1-Butyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)amide
CID 134716444
3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622858
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CID 2867622
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]methanesulfonamide
CID 49670910
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)cyclohexanesulfonamide
CID 71782938
1-(butylsulfonyl)-4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)piperazine
CID 71783868

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole (CID 146428144) is 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1CCS(C)(=O)=O.
What is the InChIKey of 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is VCXQUNCDVFOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2S/c1-6-5-7(8(9,10)11)12-13(6)3-4-16(2,14)15/h5H,3-4H2,1-2H3.
What are the key properties of 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 256.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 146428144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).