1-[2-(4-ethylphenoxy)ethyl]pyrazole

C13H16N2O — CID 3414162

IUPAC1-[2-(4-ethylphenoxy)ethyl]pyrazole
SMILESCCc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C13H16N2O/c1-2-12-4-6-13(7-5-12)16-11-10-15-9-3-8-14-15/h3-9H,2,10-11H2,1H3
InChIKeyJGNMLWZGRWHBPH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.52
Rot. Bonds5

About 1-[2-(4-ethylphenoxy)ethyl]pyrazole

1-[2-(4-ethylphenoxy)ethyl]pyrazole (PubChem CID 3414162) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-(4-ethylphenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-(4-ethylphenoxy)ethyl]pyrazole
PubChem CID3414162
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[2-(4-ethylphenoxy)ethyl]pyrazole
SMILESCCc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C13H16N2O/c1-2-12-4-6-13(7-5-12)16-11-10-15-9-3-8-14-15/h3-9H,2,10-11H2,1H3
InChIKeyJGNMLWZGRWHBPH-UHFFFAOYSA-N
XLogP2.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]pyrazole?
The IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]pyrazole (CID 3414162) is 1-[2-(4-ethylphenoxy)ethyl]pyrazole.
What is the SMILES notation for 1-[2-(4-ethylphenoxy)ethyl]pyrazole?
The canonical SMILES for 1-[2-(4-ethylphenoxy)ethyl]pyrazole is CCc1ccc(OCCn2cccn2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenoxy)ethyl]pyrazole?
The InChIKey is JGNMLWZGRWHBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-12-4-6-13(7-5-12)16-11-10-15-9-3-8-14-15/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-[2-(4-ethylphenoxy)ethyl]pyrazole?
1-[2-(4-ethylphenoxy)ethyl]pyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenoxy)ethyl]pyrazole is sourced from PubChem (CID 3414162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).