4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole

C11H7Cl3F2N2S — CID 15672364

IUPAC4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2Cl)c(Cl)c1SC(F)F
InChIInChI=1S/C11H7Cl3F2N2S/c1-18-10(19-11(15)16)8(14)9(17-18)6-3-2-5(12)4-7(6)13/h2-4,11H,1H3
InChIKeyAFFRPVXFGYZCDB-UHFFFAOYSA-N
MW343.61 g/mol
LogP5.36
Rot. Bonds3

About 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole

4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole (PubChem CID 15672364) has the molecular formula C11H7Cl3F2N2S and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole
PubChem CID15672364
Molecular FormulaC11H7Cl3F2N2S
Molecular Weight343.61 g/mol
Exact Mass341.94
IUPAC Name4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2Cl)c(Cl)c1SC(F)F
InChIInChI=1S/C11H7Cl3F2N2S/c1-18-10(19-11(15)16)8(14)9(17-18)6-3-2-5(12)4-7(6)13/h2-4,11H,1H3
InChIKeyAFFRPVXFGYZCDB-UHFFFAOYSA-N
XLogP5.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.61
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole (CID 15672364) is 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole is Cn1nc(-c2ccc(Cl)cc2Cl)c(Cl)c1SC(F)F.
What is the InChIKey of 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole?
The InChIKey is AFFRPVXFGYZCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3F2N2S/c1-18-10(19-11(15)16)8(14)9(17-18)6-3-2-5(12)4-7(6)13/h2-4,11H,1H3.
What are the key properties of 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole?
4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole has a molecular weight of 343.61 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4-dichlorophenyl)-5-(difluoromethylsulfanyl)-1-methylpyrazole is sourced from PubChem (CID 15672364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).