3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole

C11H10F2N2S — CID 54004047

IUPAC3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole
SMILESCCSn1ccc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C11H10F2N2S/c1-2-16-15-6-5-11(14-15)9-7-8(12)3-4-10(9)13/h3-7H,2H2,1H3
InChIKeyKNOZTGANFWWKSS-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.34
Rot. Bonds3

About 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole

3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole (PubChem CID 54004047) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole
PubChem CID54004047
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole
SMILESCCSn1ccc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C11H10F2N2S/c1-2-16-15-6-5-11(14-15)9-7-8(12)3-4-10(9)13/h3-7H,2H2,1H3
InChIKeyKNOZTGANFWWKSS-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole?
The IUPAC name of 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole (CID 54004047) is 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole is CCSn1ccc(-c2cc(F)ccc2F)n1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole?
The InChIKey is KNOZTGANFWWKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-2-16-15-6-5-11(14-15)9-7-8(12)3-4-10(9)13/h3-7H,2H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole?
3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole has a molecular weight of 240.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-ethylsulfanylpyrazole is sourced from PubChem (CID 54004047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).