5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole

C7H9F3N2S — CID 141380523

IUPAC5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCSc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H9F3N2S/c1-3-13-6-4-5(7(8,9)10)11-12(6)2/h4H,3H2,1-2H3
InChIKeyDPWQGQWXVINTGE-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.55
Rot. Bonds2

About 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole

5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 141380523) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID141380523
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCSc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H9F3N2S/c1-3-13-6-4-5(7(8,9)10)11-12(6)2/h4H,3H2,1-2H3
InChIKeyDPWQGQWXVINTGE-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole (CID 141380523) is 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole is CCSc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DPWQGQWXVINTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-3-13-6-4-5(7(8,9)10)11-12(6)2/h4H,3H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole?
5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 210.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 141380523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).