ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate

C10H16N2O3 — CID 66022356

IUPACethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(C)c(CC)c1=O
InChIInChI=1S/C10H16N2O3/c1-4-8-7(3)11-12(10(8)14)6-9(13)15-5-2/h11H,4-6H2,1-3H3
InChIKeyROMIQZWWHUPPCG-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.61
Rot. Bonds4

About ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate

ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate (PubChem CID 66022356) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
PubChem CID66022356
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(C)c(CC)c1=O
InChIInChI=1S/C10H16N2O3/c1-4-8-7(3)11-12(10(8)14)6-9(13)15-5-2/h11H,4-6H2,1-3H3
InChIKeyROMIQZWWHUPPCG-UHFFFAOYSA-N
XLogP0.61
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-acetate
CID 21717454
ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate
CID 66022357
ethyl 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022358
2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
CID 91170517
2-(5-ethyl-4-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 66020294
ethyl 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)acetate
CID 66022153
ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate
CID 66022154
ethyl 2-(5-tert-butyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022155
Ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate
CID 66022560
ethyl 2-(5-methyl-3-oxo-4-propan-2-yl-1H-pyrazol-2-yl)acetate
CID 66022561
ethyl 2-(5-ethyl-4-methyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022766
ethyl 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022767

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate (CID 66022356) is ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate is CCOC(=O)Cn1[nH]c(C)c(CC)c1=O.
What is the InChIKey of ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
The InChIKey is ROMIQZWWHUPPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-8-7(3)11-12(10(8)14)6-9(13)15-5-2/h11H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate?
ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate is sourced from PubChem (CID 66022356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).