3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole

C11H10ClFN2S — CID 15672355

IUPAC3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1cc(-c2ccc(Cl)cc2F)nn1C
InChIInChI=1S/C11H10ClFN2S/c1-15-11(16-2)6-10(14-15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKeyPDKJVPMHQXIQFO-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.60
Rot. Bonds2

About 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole

3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole (PubChem CID 15672355) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole
PubChem CID15672355
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1cc(-c2ccc(Cl)cc2F)nn1C
InChIInChI=1S/C11H10ClFN2S/c1-15-11(16-2)6-10(14-15)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKeyPDKJVPMHQXIQFO-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole (CID 15672355) is 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole is CSc1cc(-c2ccc(Cl)cc2F)nn1C.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The InChIKey is PDKJVPMHQXIQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/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-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole has a molecular weight of 256.73 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole is sourced from PubChem (CID 15672355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).