2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine

C14H17F3N2S — CID 178124886

IUPAC2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1nn2c(C(C)C)cccc2c1SC(F)(F)F
InChIInChI=1S/C14H17F3N2S/c1-8(2)10-6-5-7-11-13(20-14(15,16)17)12(9(3)4)18-19(10)11/h5-9H,1-4H3
InChIKeyCQFBHDYQOGTVLN-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.19
Rot. Bonds3

About 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine

2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine (PubChem CID 178124886) has the molecular formula C14H17F3N2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
PubChem CID178124886
Molecular FormulaC14H17F3N2S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1nn2c(C(C)C)cccc2c1SC(F)(F)F
InChIInChI=1S/C14H17F3N2S/c1-8(2)10-6-5-7-11-13(20-14(15,16)17)12(9(3)4)18-19(10)11/h5-9H,1-4H3
InChIKeyCQFBHDYQOGTVLN-UHFFFAOYSA-N
XLogP5.19
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine (CID 178124886) is 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine is CC(C)c1nn2c(C(C)C)cccc2c1SC(F)(F)F.
What is the InChIKey of 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The InChIKey is CQFBHDYQOGTVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2S/c1-8(2)10-6-5-7-11-13(20-14(15,16)17)12(9(3)4)18-19(10)11/h5-9H,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine has a molecular weight of 302.37 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 178124886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).