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

C14H19F3N2S — CID 178124797

IUPACethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
SMILESCC.Cc1nn2c(C(C)C)cccc2c1SC(F)(F)F
InChIInChI=1S/C12H13F3N2S.C2H6/c1-7(2)9-5-4-6-10-11(18-12(13,14)15)8(3)16-17(9)10;1-2/h4-7H,1-3H3;1-2H3
InChIKeyJWNNYADFVHQJBK-UHFFFAOYSA-N
MW304.38 g/mol
LogP5.40
Rot. Bonds2

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

ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine (PubChem CID 178124797) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
PubChem CID178124797
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Nameethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
SMILESCC.Cc1nn2c(C(C)C)cccc2c1SC(F)(F)F
InChIInChI=1S/C12H13F3N2S.C2H6/c1-7(2)9-5-4-6-10-11(18-12(13,14)15)8(3)16-17(9)10;1-2/h4-7H,1-3H3;1-2H3
InChIKeyJWNNYADFVHQJBK-UHFFFAOYSA-N
XLogP5.40
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine (CID 178124797) is ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine is CC.Cc1nn2c(C(C)C)cccc2c1SC(F)(F)F.
What is the InChIKey of ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The InChIKey is JWNNYADFVHQJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S.C2H6/c1-7(2)9-5-4-6-10-11(18-12(13,14)15)8(3)16-17(9)10;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine has a molecular weight of 304.38 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 178124797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).