1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone

C17H22N2O2 — CID 82698498

IUPAC1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone
SMILESCCc1cc(CC)n(CCOc2ccccc2C(C)=O)n1
InChIInChI=1S/C17H22N2O2/c1-4-14-12-15(5-2)19(18-14)10-11-21-17-9-7-6-8-16(17)13(3)20/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyXGCKBDMZLLMTKN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.29
Rot. Bonds7

About 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone

1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone (PubChem CID 82698498) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone
PubChem CID82698498
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone
SMILESCCc1cc(CC)n(CCOc2ccccc2C(C)=O)n1
InChIInChI=1S/C17H22N2O2/c1-4-14-12-15(5-2)19(18-14)10-11-21-17-9-7-6-8-16(17)13(3)20/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyXGCKBDMZLLMTKN-UHFFFAOYSA-N
XLogP3.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-acetylphenoxy)ethyl]-6-methylpyridazin-3-one
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CID 82696077
2-[2-(2-acetylphenoxy)ethyl]-5-methylpyridazin-3-one
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(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128341
1-[2-[2-[4-(aminomethyl)triazol-1-yl]ethoxy]phenyl]ethanone
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1-[2-(2-iodoethoxy)phenyl]ethanone
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1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid
CID 43532474
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
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3,5-diethyl-1-(2-propoxyethyl)pyrazole
CID 106458013

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone (CID 82698498) is 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone is CCc1cc(CC)n(CCOc2ccccc2C(C)=O)n1.
What is the InChIKey of 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is XGCKBDMZLLMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-14-12-15(5-2)19(18-14)10-11-21-17-9-7-6-8-16(17)13(3)20/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone?
1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 82698498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).