1-(1-ethoxyethyl)pyrazole

C7H12N2O — CID 46941562

IUPAC1-(1-ethoxyethyl)pyrazole
SMILESCCOC(C)n1cccn1
InChIInChI=1S/C7H12N2O/c1-3-10-7(2)9-6-4-5-8-9/h4-7H,3H2,1-2H3
InChIKeyARLWQCUNWFXONO-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.44
Rot. Bonds3

About 1-(1-ethoxyethyl)pyrazole

1-(1-ethoxyethyl)pyrazole (PubChem CID 46941562) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)pyrazole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)pyrazole
PubChem CID46941562
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(1-ethoxyethyl)pyrazole
SMILESCCOC(C)n1cccn1
InChIInChI=1S/C7H12N2O/c1-3-10-7(2)9-6-4-5-8-9/h4-7H,3H2,1-2H3
InChIKeyARLWQCUNWFXONO-UHFFFAOYSA-N
XLogP1.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)pyrazole?
The IUPAC name of 1-(1-ethoxyethyl)pyrazole (CID 46941562) is 1-(1-ethoxyethyl)pyrazole.
What is the SMILES notation for 1-(1-ethoxyethyl)pyrazole?
The canonical SMILES for 1-(1-ethoxyethyl)pyrazole is CCOC(C)n1cccn1.
What is the InChIKey of 1-(1-ethoxyethyl)pyrazole?
The InChIKey is ARLWQCUNWFXONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-10-7(2)9-6-4-5-8-9/h4-7H,3H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)pyrazole?
1-(1-ethoxyethyl)pyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)pyrazole is sourced from PubChem (CID 46941562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).