2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile

C12H13N3S — CID 134989854

IUPAC2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCSc1nn2c(C)cc(C)cc2c1C#N
InChIInChI=1S/C12H13N3S/c1-4-16-12-10(7-13)11-6-8(2)5-9(3)15(11)14-12/h5-6H,4H2,1-3H3
InChIKeyGUUJKCCCTMWSAW-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.93
Rot. Bonds2

About 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile

2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134989854) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134989854
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCSc1nn2c(C)cc(C)cc2c1C#N
InChIInChI=1S/C12H13N3S/c1-4-16-12-10(7-13)11-6-8(2)5-9(3)15(11)14-12/h5-6H,4H2,1-3H3
InChIKeyGUUJKCCCTMWSAW-UHFFFAOYSA-N
XLogP2.93
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134989854) is 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile is CCSc1nn2c(C)cc(C)cc2c1C#N.
What is the InChIKey of 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GUUJKCCCTMWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-4-16-12-10(7-13)11-6-8(2)5-9(3)15(11)14-12/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile?
2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 231.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134989854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).