2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

C16H10Cl2F3N3O2S — CID 10113880

IUPAC2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H10Cl2F3N3O2S/c1-27(25,26)10-3-5-15(22-8-10)24-13(7-14(23-24)16(19,20)21)9-2-4-11(17)12(18)6-9/h2-8H,1H3
InChIKeyFOQYVTICQJUSCS-UHFFFAOYSA-N
MW436.24 g/mol
LogP4.66
Rot. Bonds3

About 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 10113880) has the molecular formula C16H10Cl2F3N3O2S and a molecular weight of 436.24 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID10113880
Molecular FormulaC16H10Cl2F3N3O2S
Molecular Weight436.24 g/mol
Exact Mass434.98
IUPAC Name2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H10Cl2F3N3O2S/c1-27(25,26)10-3-5-15(22-8-10)24-13(7-14(23-24)16(19,20)21)9-2-4-11(17)12(18)6-9/h2-8H,1H3
InChIKeyFOQYVTICQJUSCS-UHFFFAOYSA-N
XLogP4.66
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 10113880) is 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is FOQYVTICQJUSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O2S/c1-27(25,26)10-3-5-15(22-8-10)24-13(7-14(23-24)16(19,20)21)9-2-4-11(17)12(18)6-9/h2-8H,1H3.
What are the key properties of 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 436.24 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 10113880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).