ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole

C9H15F3N2O2S — CID 143330821

IUPACethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCO.CCS(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H9F3N2OS.C2H6O/c1-3-14(13)6-4-5(7(8,9)10)11-12(6)2;1-2-3/h4H,3H2,1-2H3;3H,2H2,1H3
InChIKeyYXYIMOYNAOPSIQ-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.57
Rot. Bonds2

About ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole

ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 143330821) has the molecular formula C9H15F3N2O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID143330821
Molecular FormulaC9H15F3N2O2S
Molecular Weight272.29 g/mol
Exact Mass272.08
IUPAC Nameethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCO.CCS(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H9F3N2OS.C2H6O/c1-3-14(13)6-4-5(7(8,9)10)11-12(6)2;1-2-3/h4H,3H2,1-2H3;3H,2H2,1H3
InChIKeyYXYIMOYNAOPSIQ-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylpropane-1-thiol
CID 46175005
5-(4,4-Difluorobut-3-enylsulfanyl)-1,3-dimethylpyrazole
CID 21850411
1-Methyl-5-(2-methylpropylsulfanyl)-3-(trifluoromethyl)pyrazole
CID 53716391
1-Butyl-5-methanesulfonyl-3-(trifluoromethyl)pyrazole
CID 59356394
5-Methanesulfonyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 59356398
1-Methyl-5-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrazole
CID 91084070
1-Methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole
CID 141140302
5-Ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 141380523
5-(1-Fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 150815244
3-[Bis(2,2-difluoroethoxy)phosphorylmethyl]-1-methyl-5-methylsulfonylpyrazole
CID 153527108
1-Methyl-5-propan-2-ylsulfinyl-3-(trifluoromethyl)pyrazole
CID 170077974
2-[1-Pentan-3-yl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylacetic acid
CID 55071104

Frequently Asked Questions

What is the IUPAC name of ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole (CID 143330821) is ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole is CCO.CCS(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is YXYIMOYNAOPSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS.C2H6O/c1-3-14(13)6-4-5(7(8,9)10)11-12(6)2;1-2-3/h4H,3H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole?
ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 272.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;5-ethylsulfinyl-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 143330821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).