3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

C11H10F3N3S — CID 150535072

IUPAC3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCCSc1cncc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H10F3N3S/c1-2-18-9-5-8(6-15-7-9)17-4-3-10(16-17)11(12,13)14/h3-7H,2H2,1H3
InChIKeyIEQZCVDHGLXFRL-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.40
Rot. Bonds3

About 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 150535072) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID150535072
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCCSc1cncc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H10F3N3S/c1-2-18-9-5-8(6-15-7-9)17-4-3-10(16-17)11(12,13)14/h3-7H,2H2,1H3
InChIKeyIEQZCVDHGLXFRL-UHFFFAOYSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)thio]pyridine
CID 2806086
Pyridine, 3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-
CID 11218127
5-Pyrazol-1-yl-2-trifluoromethyl-pyridine
CID 117753263
2-(1,3-Dimethyl-4-nitropyrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 2806088
5-(difluoromethyl)-1-(pyridin-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 138039892
3-(3-methyl-1H-pyrazol-1-yl)pyridine
CID 67499429
2-Methylsulfanylpyrazolo[1,5-a]pyridine
CID 83680693
3-(3,5-Dimethyl-1H-pyrazol-1-yl)pyridine
CID 118595396
5-(4-Fluorophenyl)sulfanyl-1-prop-2-enylpyrazolo[4,5-b]pyridine
CID 42629298
N-(2,4-difluorophenyl)-N-[1-methyl-5-pyridin-2-ylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]formamide
CID 53677295
3-[4-(4,4,4-Trifluoro-butylsulfanyl)-1H-pyrazol-3-yl]-pyridine
CID 57548075
3-[5-Tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 58157388

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 150535072) is 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is CCSc1cncc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is IEQZCVDHGLXFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c1-2-18-9-5-8(6-15-7-9)17-4-3-10(16-17)11(12,13)14/h3-7H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 273.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 150535072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).