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

C12H13F3N2S — CID 178124798

IUPAC2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
SMILESCc1nn2c(C(C)C)cccc2c1SC(F)(F)F
InChIInChI=1S/C12H13F3N2S/c1-7(2)9-5-4-6-10-11(18-12(13,14)15)8(3)16-17(9)10/h4-7H,1-3H3
InChIKeyJSRICCQXKPRIAJ-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.38
Rot. Bonds2

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

2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine (PubChem CID 178124798) has the molecular formula C12H13F3N2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
PubChem CID178124798
Molecular FormulaC12H13F3N2S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine
SMILESCc1nn2c(C(C)C)cccc2c1SC(F)(F)F
InChIInChI=1S/C12H13F3N2S/c1-7(2)9-5-4-6-10-11(18-12(13,14)15)8(3)16-17(9)10/h4-7H,1-3H3
InChIKeyJSRICCQXKPRIAJ-UHFFFAOYSA-N
XLogP4.38
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-Dipropyl-11-(trifluoromethyl)-3-thia-9,10-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
CID 139093194
[3,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl] thiocyanate
CID 178250514
3-Tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 20728130
4-Ethyl-7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 59389393
2-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 67112179
7-Bromo-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 134457740
3,7-Dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 142222943
4,7-Dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine;ethane
CID 145498083
7-Ethyl-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 145498092
7-Ethyl-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 145498095
2-Propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 168950667
2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 169976343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine (CID 178124798) is 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine is Cc1nn2c(C(C)C)cccc2c1SC(F)(F)F.
What is the InChIKey of 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
The InChIKey is JSRICCQXKPRIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S/c1-7(2)9-5-4-6-10-11(18-12(13,14)15)8(3)16-17(9)10/h4-7H,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine?
2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine has a molecular weight of 274.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 178124798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).