1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole

C17H28N2O4 — CID 156694753

IUPAC1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole
SMILESc1cn(C2CCCCO2)nc1CCOCCOC1CCCCO1
InChIInChI=1S/C17H28N2O4/c1-3-10-21-16(5-1)19-9-7-15(18-19)8-12-20-13-14-23-17-6-2-4-11-22-17/h7,9,16-17H,1-6,8,10-14H2
InChIKeyWWSXJGXLIHMJKT-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.68
Rot. Bonds8

About 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole

1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole (PubChem CID 156694753) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole
PubChem CID156694753
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole
SMILESc1cn(C2CCCCO2)nc1CCOCCOC1CCCCO1
InChIInChI=1S/C17H28N2O4/c1-3-10-21-16(5-1)19-9-7-15(18-19)8-12-20-13-14-23-17-6-2-4-11-22-17/h7,9,16-17H,1-6,8,10-14H2
InChIKeyWWSXJGXLIHMJKT-UHFFFAOYSA-N
XLogP2.68
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
[1-(oxan-2-yl)pyrazol-3-yl]methyl methanesulfonate
CID 162683794
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]oxane
CID 122547467
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole?
The IUPAC name of 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole (CID 156694753) is 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole.
What is the SMILES notation for 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole?
The canonical SMILES for 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole is c1cn(C2CCCCO2)nc1CCOCCOC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole?
The InChIKey is WWSXJGXLIHMJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-3-10-21-16(5-1)19-9-7-15(18-19)8-12-20-13-14-23-17-6-2-4-11-22-17/h7,9,16-17H,1-6,8,10-14H2.
What are the key properties of 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole?
1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole has a molecular weight of 324.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole is sourced from PubChem (CID 156694753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).