4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C12H13F3N2O — CID 59389362

IUPAC4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCCc1ccc(COC)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H13F3N2O/c1-3-8-4-5-9(7-18-2)17-10(8)6-11(16-17)12(13,14)15/h4-6H,3,7H2,1-2H3
InChIKeyRRBDUVUXBUSCOL-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.06
Rot. Bonds3

About 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 59389362) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID59389362
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCCc1ccc(COC)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H13F3N2O/c1-3-8-4-5-9(7-18-2)17-10(8)6-11(16-17)12(13,14)15/h4-6H,3,7H2,1-2H3
InChIKeyRRBDUVUXBUSCOL-UHFFFAOYSA-N
XLogP3.06
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 59389362) is 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is CCc1ccc(COC)n2nc(C(F)(F)F)cc12.
What is the InChIKey of 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is RRBDUVUXBUSCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-3-8-4-5-9(7-18-2)17-10(8)6-11(16-17)12(13,14)15/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 258.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 59389362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).