1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole

C17H23N3O — CID 56890450

IUPAC1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole
SMILESCCc1cccc(OC2CN(Cc3cnn(CC)c3)C2)c1
InChIInChI=1S/C17H23N3O/c1-3-14-6-5-7-16(8-14)21-17-12-19(13-17)10-15-9-18-20(4-2)11-15/h5-9,11,17H,3-4,10,12-13H2,1-2H3
InChIKeyYBKIYFWHJQDMBR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds6

About 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole

1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole (PubChem CID 56890450) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole
PubChem CID56890450
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole
SMILESCCc1cccc(OC2CN(Cc3cnn(CC)c3)C2)c1
InChIInChI=1S/C17H23N3O/c1-3-14-6-5-7-16(8-14)21-17-12-19(13-17)10-15-9-18-20(4-2)11-15/h5-9,11,17H,3-4,10,12-13H2,1-2H3
InChIKeyYBKIYFWHJQDMBR-UHFFFAOYSA-N
XLogP2.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole (CID 56890450) is 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole is CCc1cccc(OC2CN(Cc3cnn(CC)c3)C2)c1.
What is the InChIKey of 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole?
The InChIKey is YBKIYFWHJQDMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-14-6-5-7-16(8-14)21-17-12-19(13-17)10-15-9-18-20(4-2)11-15/h5-9,11,17H,3-4,10,12-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole?
1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole has a molecular weight of 285.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]pyrazole is sourced from PubChem (CID 56890450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).