4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole

C15H20N2O3 — CID 75484395

IUPAC4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole
SMILESCOc1ccccc1OCCOc1c(C)nn(C)c1C
InChIInChI=1S/C15H20N2O3/c1-11-15(12(2)17(3)16-11)20-10-9-19-14-8-6-5-7-13(14)18-4/h5-8H,9-10H2,1-4H3
InChIKeyXHZGOTVVWAHEMJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.50
Rot. Bonds6

About 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole

4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole (PubChem CID 75484395) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole
PubChem CID75484395
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole
SMILESCOc1ccccc1OCCOc1c(C)nn(C)c1C
InChIInChI=1S/C15H20N2O3/c1-11-15(12(2)17(3)16-11)20-10-9-19-14-8-6-5-7-13(14)18-4/h5-8H,9-10H2,1-4H3
InChIKeyXHZGOTVVWAHEMJ-UHFFFAOYSA-N
XLogP2.50
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.50
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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Related Compounds

1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180506
N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 166217948
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16672053
1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2226105
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine
CID 112678493
2-(2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105081597
[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207915
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole (CID 75484395) is 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole is COc1ccccc1OCCOc1c(C)nn(C)c1C.
What is the InChIKey of 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole?
The InChIKey is XHZGOTVVWAHEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-15(12(2)17(3)16-11)20-10-9-19-14-8-6-5-7-13(14)18-4/h5-8H,9-10H2,1-4H3.
What are the key properties of 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole?
4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole has a molecular weight of 276.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenoxy)ethoxy]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 75484395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).