methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate

C6H7F3N2O2S — CID 20675413

IUPACmethyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate
SMILESCOS(=O)c1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C6H7F3N2O2S/c1-3-4(14(12)13-2)5(11-10-3)6(7,8)9/h1-2H3,(H,10,11)
InChIKeyZEMFFZMDKBVICK-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.41
Rot. Bonds2

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

methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate (PubChem CID 20675413) has the molecular formula C6H7F3N2O2S and a molecular weight of 228.19 g/mol. Its IUPAC name is methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate.

Molecular Properties

Compound Namemethyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate
PubChem CID20675413
Molecular FormulaC6H7F3N2O2S
Molecular Weight228.19 g/mol
Exact Mass228.02
IUPAC Namemethyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate
SMILESCOS(=O)c1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C6H7F3N2O2S/c1-3-4(14(12)13-2)5(11-10-3)6(7,8)9/h1-2H3,(H,10,11)
InChIKeyZEMFFZMDKBVICK-UHFFFAOYSA-N
XLogP1.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 165431141
trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane
CID 147192485
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane
CID 163231919
3-tert-butyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 160726622
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
CID 55282490
4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]but-3-enal
CID 170482186
4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
CID 131900570
ethyl 4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]but-3-enoate
CID 170796469
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]borinic acid
CID 66730266
N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
CID 169473905
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol
CID 170818205
(3aS,7aR)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19583864

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate?
The IUPAC name of methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate (CID 20675413) is methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate.
What is the SMILES notation for methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate?
The canonical SMILES for methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate is COS(=O)c1c(C(F)(F)F)n[nH]c1C.
What is the InChIKey of methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate?
The InChIKey is ZEMFFZMDKBVICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2S/c1-3-4(14(12)13-2)5(11-10-3)6(7,8)9/h1-2H3,(H,10,11).
What are the key properties of methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate?
methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate has a molecular weight of 228.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate is sourced from PubChem (CID 20675413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).