5-ethoxy-1-methylpyrazole

C6H10N2O — CID 20749434

IUPAC5-ethoxy-1-methylpyrazole
SMILESCCOc1ccnn1C
InChIInChI=1S/C6H10N2O/c1-3-9-6-4-5-7-8(6)2/h4-5H,3H2,1-2H3
InChIKeyATJSLUHUBQEHQI-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.82
Rot. Bonds2

About 5-ethoxy-1-methylpyrazole

5-ethoxy-1-methylpyrazole (PubChem CID 20749434) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-ethoxy-1-methylpyrazole.

Molecular Properties

Compound Name5-ethoxy-1-methylpyrazole
PubChem CID20749434
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-ethoxy-1-methylpyrazole
SMILESCCOc1ccnn1C
InChIInChI=1S/C6H10N2O/c1-3-9-6-4-5-7-8(6)2/h4-5H,3H2,1-2H3
InChIKeyATJSLUHUBQEHQI-UHFFFAOYSA-N
XLogP0.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methylpyrazole?
The IUPAC name of 5-ethoxy-1-methylpyrazole (CID 20749434) is 5-ethoxy-1-methylpyrazole.
What is the SMILES notation for 5-ethoxy-1-methylpyrazole?
The canonical SMILES for 5-ethoxy-1-methylpyrazole is CCOc1ccnn1C.
What is the InChIKey of 5-ethoxy-1-methylpyrazole?
The InChIKey is ATJSLUHUBQEHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-9-6-4-5-7-8(6)2/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethoxy-1-methylpyrazole?
5-ethoxy-1-methylpyrazole has a molecular weight of 126.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methylpyrazole is sourced from PubChem (CID 20749434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).