1-(1-ethoxyethyl)-5-methylsulfanylpyrazole

C8H14N2OS — CID 164892461

IUPAC1-(1-ethoxyethyl)-5-methylsulfanylpyrazole
SMILESCCOC(C)n1nccc1SC
InChIInChI=1S/C8H14N2OS/c1-4-11-7(2)10-8(12-3)5-6-9-10/h5-7H,4H2,1-3H3
InChIKeyDVXFGXGVILSGCS-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.16
Rot. Bonds4

About 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole

1-(1-ethoxyethyl)-5-methylsulfanylpyrazole (PubChem CID 164892461) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-5-methylsulfanylpyrazole
PubChem CID164892461
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(1-ethoxyethyl)-5-methylsulfanylpyrazole
SMILESCCOC(C)n1nccc1SC
InChIInChI=1S/C8H14N2OS/c1-4-11-7(2)10-8(12-3)5-6-9-10/h5-7H,4H2,1-3H3
InChIKeyDVXFGXGVILSGCS-UHFFFAOYSA-N
XLogP2.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole?
The IUPAC name of 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole (CID 164892461) is 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole.
What is the SMILES notation for 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole?
The canonical SMILES for 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole is CCOC(C)n1nccc1SC.
What is the InChIKey of 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole?
The InChIKey is DVXFGXGVILSGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-4-11-7(2)10-8(12-3)5-6-9-10/h5-7H,4H2,1-3H3.
What are the key properties of 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole?
1-(1-ethoxyethyl)-5-methylsulfanylpyrazole has a molecular weight of 186.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-5-methylsulfanylpyrazole is sourced from PubChem (CID 164892461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).