2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

C16H18F3N3O2S — CID 11349305

IUPAC2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCCC2)nc1
InChIInChI=1S/C16H18F3N3O2S/c1-25(23,24)12-7-8-15(20-10-12)22-13(11-5-3-2-4-6-11)9-14(21-22)16(17,18)19/h7-11H,2-6H2,1H3
InChIKeyZBPVGESSJRCGSD-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.74
Rot. Bonds3

About 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 11349305) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID11349305
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCCC2)nc1
InChIInChI=1S/C16H18F3N3O2S/c1-25(23,24)12-7-8-15(20-10-12)22-13(11-5-3-2-4-6-11)9-14(21-22)16(17,18)19/h7-11H,2-6H2,1H3
InChIKeyZBPVGESSJRCGSD-UHFFFAOYSA-N
XLogP3.74
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 11349305) is 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2CCCCC2)nc1.
What is the InChIKey of 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is ZBPVGESSJRCGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-25(23,24)12-7-8-15(20-10-12)22-13(11-5-3-2-4-6-11)9-14(21-22)16(17,18)19/h7-11H,2-6H2,1H3.
What are the key properties of 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 373.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 11349305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).