1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole

C12H20N2O3 — CID 102563823

IUPAC1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole
SMILESCCn1cc(OCCOCC2CCCO2)cn1
InChIInChI=1S/C12H20N2O3/c1-2-14-9-12(8-13-14)17-7-6-15-10-11-4-3-5-16-11/h8-9,11H,2-7,10H2,1H3
InChIKeyRIEIQMKIYWSAMP-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.48
Rot. Bonds7

About 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole

1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole (PubChem CID 102563823) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole
PubChem CID102563823
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole
SMILESCCn1cc(OCCOCC2CCCO2)cn1
InChIInChI=1S/C12H20N2O3/c1-2-14-9-12(8-13-14)17-7-6-15-10-11-4-3-5-16-11/h8-9,11H,2-7,10H2,1H3
InChIKeyRIEIQMKIYWSAMP-UHFFFAOYSA-N
XLogP1.48
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole?
The IUPAC name of 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole (CID 102563823) is 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole.
What is the SMILES notation for 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole?
The canonical SMILES for 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole is CCn1cc(OCCOCC2CCCO2)cn1.
What is the InChIKey of 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole?
The InChIKey is RIEIQMKIYWSAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-14-9-12(8-13-14)17-7-6-15-10-11-4-3-5-16-11/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole?
1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole has a molecular weight of 240.30 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole is sourced from PubChem (CID 102563823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).