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

C10H16N2O3 — CID 69318719

IUPACethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate
SMILESCCOC(=O)CCc1cc(=O)[nH]n1CC
InChIInChI=1S/C10H16N2O3/c1-3-12-8(7-9(13)11-12)5-6-10(14)15-4-2/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyYIDQMGNPLYZKED-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.69
Rot. Bonds5

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

ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate (PubChem CID 69318719) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate
PubChem CID69318719
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate
SMILESCCOC(=O)CCc1cc(=O)[nH]n1CC
InChIInChI=1S/C10H16N2O3/c1-3-12-8(7-9(13)11-12)5-6-10(14)15-4-2/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyYIDQMGNPLYZKED-UHFFFAOYSA-N
XLogP0.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate?
The IUPAC name of ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate (CID 69318719) is ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate is CCOC(=O)CCc1cc(=O)[nH]n1CC.
What is the InChIKey of ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate?
The InChIKey is YIDQMGNPLYZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-12-8(7-9(13)11-12)5-6-10(14)15-4-2/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate?
ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate has a molecular weight of 212.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethyl-5-oxo-1H-pyrazol-3-yl)propanoate is sourced from PubChem (CID 69318719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).