2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine

C15H12F3N3S — CID 118871975

IUPAC2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESCCSc1ccccc1-n1cc2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C15H12F3N3S/c1-2-22-13-6-4-3-5-12(13)21-9-10-8-19-14(15(16,17)18)7-11(10)20-21/h3-9H,2H2,1H3
InChIKeyTXTVVMMGBKHHJF-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.55
Rot. Bonds3

About 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine

2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine (PubChem CID 118871975) has the molecular formula C15H12F3N3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
PubChem CID118871975
Molecular FormulaC15H12F3N3S
Molecular Weight323.34 g/mol
Exact Mass323.07
IUPAC Name2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESCCSc1ccccc1-n1cc2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C15H12F3N3S/c1-2-22-13-6-4-3-5-12(13)21-9-10-8-19-14(15(16,17)18)7-11(10)20-21/h3-9H,2H2,1H3
InChIKeyTXTVVMMGBKHHJF-UHFFFAOYSA-N
XLogP4.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine (CID 118871975) is 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine is CCSc1ccccc1-n1cc2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is TXTVVMMGBKHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3S/c1-2-22-13-6-4-3-5-12(13)21-9-10-8-19-14(15(16,17)18)7-11(10)20-21/h3-9H,2H2,1H3.
What are the key properties of 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 323.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118871975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).