3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole

C11H10F2N2S — CID 54395109

IUPAC3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1cc(-c2ccc(F)cc2F)nn1C
InChIInChI=1S/C11H10F2N2S/c1-15-11(16-2)6-10(14-15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKeyVJJSINZXRYJVHO-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.09
Rot. Bonds2

About 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole

3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole (PubChem CID 54395109) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole
PubChem CID54395109
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1cc(-c2ccc(F)cc2F)nn1C
InChIInChI=1S/C11H10F2N2S/c1-15-11(16-2)6-10(14-15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKeyVJJSINZXRYJVHO-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole (CID 54395109) is 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole is CSc1cc(-c2ccc(F)cc2F)nn1C.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The InChIKey is VJJSINZXRYJVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-15-11(16-2)6-10(14-15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole has a molecular weight of 240.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-5-methylsulfanylpyrazole is sourced from PubChem (CID 54395109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).