5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole

C10H5Cl2F3N2S — CID 151929867

IUPAC5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)Sc1cc(Cl)c(-c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C10H5Cl2F3N2S/c11-6-3-5(18-10(13,14)15)4-7(12)9(6)8-1-2-16-17-8/h1-4H,(H,16,17)
InChIKeySYODYFHPGJYXRZ-UHFFFAOYSA-N
MW313.13 g/mol
LogP5.00
Rot. Bonds2

About 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole

5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole (PubChem CID 151929867) has the molecular formula C10H5Cl2F3N2S and a molecular weight of 313.13 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole
PubChem CID151929867
Molecular FormulaC10H5Cl2F3N2S
Molecular Weight313.13 g/mol
Exact Mass311.95
IUPAC Name5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)Sc1cc(Cl)c(-c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C10H5Cl2F3N2S/c11-6-3-5(18-10(13,14)15)4-7(12)9(6)8-1-2-16-17-8/h1-4H,(H,16,17)
InChIKeySYODYFHPGJYXRZ-UHFFFAOYSA-N
XLogP5.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole (CID 151929867) is 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole is FC(F)(F)Sc1cc(Cl)c(-c2ccn[nH]2)c(Cl)c1.
What is the InChIKey of 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole?
The InChIKey is SYODYFHPGJYXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2S/c11-6-3-5(18-10(13,14)15)4-7(12)9(6)8-1-2-16-17-8/h1-4H,(H,16,17).
What are the key properties of 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole?
5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole has a molecular weight of 313.13 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 151929867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).