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

C11H9Cl2FN2S — CID 15672358

IUPAC4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1c(Cl)c(-c2ccc(Cl)cc2F)nn1C
InChIInChI=1S/C11H9Cl2FN2S/c1-16-11(17-2)9(13)10(15-16)7-4-3-6(12)5-8(7)14/h3-5H,1-2H3
InChIKeyXDJCKENUMMNTMX-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.25
Rot. Bonds2

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

4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole (PubChem CID 15672358) has the molecular formula C11H9Cl2FN2S and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole
PubChem CID15672358
Molecular FormulaC11H9Cl2FN2S
Molecular Weight291.18 g/mol
Exact Mass289.98
IUPAC Name4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1c(Cl)c(-c2ccc(Cl)cc2F)nn1C
InChIInChI=1S/C11H9Cl2FN2S/c1-16-11(17-2)9(13)10(15-16)7-4-3-6(12)5-8(7)14/h3-5H,1-2H3
InChIKeyXDJCKENUMMNTMX-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole (CID 15672358) is 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole is CSc1c(Cl)c(-c2ccc(Cl)cc2F)nn1C.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
The InChIKey is XDJCKENUMMNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2S/c1-16-11(17-2)9(13)10(15-16)7-4-3-6(12)5-8(7)14/h3-5H,1-2H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole?
4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole has a molecular weight of 291.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluorophenyl)-1-methyl-5-methylsulfanylpyrazole is sourced from PubChem (CID 15672358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).