2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone

C13H20N2O2 — CID 104751613

IUPAC2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone
SMILESCCc1cc(CC)n(CC(=O)C2CCOC2)n1
InChIInChI=1S/C13H20N2O2/c1-3-11-7-12(4-2)15(14-11)8-13(16)10-5-6-17-9-10/h7,10H,3-6,8-9H2,1-2H3
InChIKeyUGLDJRSGOPBGIS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds5

About 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone

2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 104751613) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone
PubChem CID104751613
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone
SMILESCCc1cc(CC)n(CC(=O)C2CCOC2)n1
InChIInChI=1S/C13H20N2O2/c1-3-11-7-12(4-2)15(14-11)8-13(16)10-5-6-17-9-10/h7,10H,3-6,8-9H2,1-2H3
InChIKeyUGLDJRSGOPBGIS-UHFFFAOYSA-N
XLogP1.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82700538
2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 104751388
2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
CID 82868765
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
2-(3,5-diethylpyrazol-1-yl)-N-prop-2-ynylacetamide
CID 82694483
2-[2-(diethylamino)ethylsulfanyl]-1-(oxolan-3-yl)ethanone
CID 104752314
2-[2-oxo-2-(oxolan-3-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 113448922
5-bromo-2-methyl-3-[2-oxo-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104751512
2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 82698622
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 104749907
1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine
CID 82693590

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone (CID 104751613) is 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone is CCc1cc(CC)n(CC(=O)C2CCOC2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is UGLDJRSGOPBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11-7-12(4-2)15(14-11)8-13(16)10-5-6-17-9-10/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone?
2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104751613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).