methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate

C7H9F3N2O2S — CID 18741333

IUPACmethyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate
SMILESCOS(=O)c1c(C(F)(F)F)nn(C)c1C
InChIInChI=1S/C7H9F3N2O2S/c1-4-5(15(13)14-3)6(7(8,9)10)11-12(4)2/h1-3H3
InChIKeyTVPYPQXUEABNQL-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.42
Rot. Bonds2

About methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate

methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate (PubChem CID 18741333) has the molecular formula C7H9F3N2O2S and a molecular weight of 242.22 g/mol. Its IUPAC name is methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate
PubChem CID18741333
Molecular FormulaC7H9F3N2O2S
Molecular Weight242.22 g/mol
Exact Mass242.03
IUPAC Namemethyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate
SMILESCOS(=O)c1c(C(F)(F)F)nn(C)c1C
InChIInChI=1S/C7H9F3N2O2S/c1-4-5(15(13)14-3)6(7(8,9)10)11-12(4)2/h1-3H3
InChIKeyTVPYPQXUEABNQL-UHFFFAOYSA-N
XLogP1.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride
CID 2737340
1,3,5-Trimethyl-1H-pyrazole-4-sulfonic acid
CID 3102534
1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485421
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024786
1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 18981663
3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622858
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 43531726
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
1-(methoxymethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 65365020
(3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol
CID 51570298
1,3,5-trimethyl-N-[1-(trifluoromethyl)cyclobutyl]pyrazole-4-sulfonamide
CID 132306832

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate?
The IUPAC name of methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate (CID 18741333) is methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate.
What is the SMILES notation for methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate?
The canonical SMILES for methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate is COS(=O)c1c(C(F)(F)F)nn(C)c1C.
What is the InChIKey of methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate?
The InChIKey is TVPYPQXUEABNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S/c1-4-5(15(13)14-3)6(7(8,9)10)11-12(4)2/h1-3H3.
What are the key properties of methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate?
methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate has a molecular weight of 242.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-sulfinate is sourced from PubChem (CID 18741333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).