2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate

C9H14N2O3 — CID 70488346

IUPAC2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
SMILESCCc1cc(=O)n(CCOC(C)=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-8-6-9(13)11(10-8)4-5-14-7(2)12/h6,10H,3-5H2,1-2H3
InChIKeyZJZNJLYRCYCDQF-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.30
Rot. Bonds4

About 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate

2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate (PubChem CID 70488346) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
PubChem CID70488346
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
SMILESCCc1cc(=O)n(CCOC(C)=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-8-6-9(13)11(10-8)4-5-14-7(2)12/h6,10H,3-5H2,1-2H3
InChIKeyZJZNJLYRCYCDQF-UHFFFAOYSA-N
XLogP0.30
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate?
The IUPAC name of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate (CID 70488346) is 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate.
What is the SMILES notation for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate?
The canonical SMILES for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate is CCc1cc(=O)n(CCOC(C)=O)[nH]1.
What is the InChIKey of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate?
The InChIKey is ZJZNJLYRCYCDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-8-6-9(13)11(10-8)4-5-14-7(2)12/h6,10H,3-5H2,1-2H3.
What are the key properties of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate?
2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate has a molecular weight of 198.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate is sourced from PubChem (CID 70488346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).