2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

C10H9N3S — CID 134990046

IUPAC2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCSc1nn2ccccc2c1C#N
InChIInChI=1S/C10H9N3S/c1-2-14-10-8(7-11)9-5-3-4-6-13(9)12-10/h3-6H,2H2,1H3
InChIKeyCBEFWYAQLUJDFP-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.32
Rot. Bonds2

About 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134990046) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134990046
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCSc1nn2ccccc2c1C#N
InChIInChI=1S/C10H9N3S/c1-2-14-10-8(7-11)9-5-3-4-6-13(9)12-10/h3-6H,2H2,1H3
InChIKeyCBEFWYAQLUJDFP-UHFFFAOYSA-N
XLogP2.32
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134990046) is 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is CCSc1nn2ccccc2c1C#N.
What is the InChIKey of 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CBEFWYAQLUJDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-2-14-10-8(7-11)9-5-3-4-6-13(9)12-10/h3-6H,2H2,1H3.
What are the key properties of 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 203.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134990046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).