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

C13H15N3O3 — CID 125452080

IUPACethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]n(-c2ccncc2)c1=O
InChIInChI=1S/C13H15N3O3/c1-3-19-12(17)8-11-9(2)15-16(13(11)18)10-4-6-14-7-5-10/h4-7,15H,3,8H2,1-2H3
InChIKeyHBJYMOAQVSLEFR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.97
Rot. Bonds4

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

ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate (PubChem CID 125452080) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate
PubChem CID125452080
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]n(-c2ccncc2)c1=O
InChIInChI=1S/C13H15N3O3/c1-3-19-12(17)8-11-9(2)15-16(13(11)18)10-4-6-14-7-5-10/h4-7,15H,3,8H2,1-2H3
InChIKeyHBJYMOAQVSLEFR-UHFFFAOYSA-N
XLogP0.97
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]acetate
CID 125453865
ethyl 2-[4-(4-methyl-3-oxo-5-pyridin-3-yl-1H-pyrazol-2-yl)phenyl]acetate
CID 54450596
methyl 2-[2-(3-cyanophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetate
CID 125451255
4-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid
CID 50889054
ethyl 2-(1-methyl-6-oxo-3-pyridinyl)acetate
CID 131699985
ethyl 2-[3-oxo-2-phenyl-4-(phenyliminomethyl)-1H-pyrazol-5-yl]acetate
CID 136785373
ethyl 2-(3-methyl-5-oxo-2-propyl-1H-pyrazol-4-yl)acetate
CID 119053561
ethyl 2-(2-pyridin-4-yl-1H-imidazol-5-yl)acetate
CID 142689254
ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate
CID 54026000
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate
CID 156905483
ethyl 3-(6-oxopyrimidin-1-yl)propanoate
CID 63770580

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate (CID 125452080) is ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate is CCOC(=O)Cc1c(C)[nH]n(-c2ccncc2)c1=O.
What is the InChIKey of ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate?
The InChIKey is HBJYMOAQVSLEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-19-12(17)8-11-9(2)15-16(13(11)18)10-4-6-14-7-5-10/h4-7,15H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate?
ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-3-oxo-2-pyridin-4-yl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 125452080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).