1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole

C15H19N3O2 — CID 56781209

IUPAC1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole
SMILESCOc1ccc(OCCN2CC(n3cccn3)C2)cc1
InChIInChI=1S/C15H19N3O2/c1-19-14-3-5-15(6-4-14)20-10-9-17-11-13(12-17)18-8-2-7-16-18/h2-8,13H,9-12H2,1H3
InChIKeyASUWCIDWZPRFTL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.83
Rot. Bonds6

About 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole

1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole (PubChem CID 56781209) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole
PubChem CID56781209
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole
SMILESCOc1ccc(OCCN2CC(n3cccn3)C2)cc1
InChIInChI=1S/C15H19N3O2/c1-19-14-3-5-15(6-4-14)20-10-9-17-11-13(12-17)18-8-2-7-16-18/h2-8,13H,9-12H2,1H3
InChIKeyASUWCIDWZPRFTL-UHFFFAOYSA-N
XLogP1.83
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 56781184
1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole
CID 56781195
1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol
CID 56780884
1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 30746046
(1S,5R)-6-(cyclopropylmethyl)-3-[2-(4-methoxyphenoxy)ethyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70747346
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one
CID 113226507
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one
CID 114500510
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311
(3aR,5R,6R,7aS)-2-[3-(4-fluorophenoxy)propyl]-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172664071

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole?
The IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole (CID 56781209) is 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole is COc1ccc(OCCN2CC(n3cccn3)C2)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole?
The InChIKey is ASUWCIDWZPRFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-14-3-5-15(6-4-14)20-10-9-17-11-13(12-17)18-8-2-7-16-18/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole?
1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole has a molecular weight of 273.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 56781209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).