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

C11H16N2O3 — CID 129463261

IUPACethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(C2CCC2)cc1=O
InChIInChI=1S/C11H16N2O3/c1-2-16-11(15)7-13-10(14)6-9(12-13)8-4-3-5-8/h6,8,12H,2-5,7H2,1H3
InChIKeyQURQLCOFJSXBQC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.01
Rot. Bonds4

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

ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate (PubChem CID 129463261) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate
PubChem CID129463261
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(C2CCC2)cc1=O
InChIInChI=1S/C11H16N2O3/c1-2-16-11(15)7-13-10(14)6-9(12-13)8-4-3-5-8/h6,8,12H,2-5,7H2,1H3
InChIKeyQURQLCOFJSXBQC-UHFFFAOYSA-N
XLogP1.01
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate (CID 129463261) is ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate is CCOC(=O)Cn1[nH]c(C2CCC2)cc1=O.
What is the InChIKey of ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate?
The InChIKey is QURQLCOFJSXBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-16-11(15)7-13-10(14)6-9(12-13)8-4-3-5-8/h6,8,12H,2-5,7H2,1H3.
What are the key properties of ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate?
ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate is sourced from PubChem (CID 129463261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).