ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate

C8H10N2O3 — CID 83391149

IUPACethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccnn1C
InChIInChI=1S/C8H10N2O3/c1-3-13-8(12)7(11)6-4-5-9-10(6)2/h4-5H,3H2,1-2H3
InChIKeyOLMUNWKKSMIJQJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.17
Rot. Bonds3

About ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate

ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate (PubChem CID 83391149) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate
PubChem CID83391149
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccnn1C
InChIInChI=1S/C8H10N2O3/c1-3-13-8(12)7(11)6-4-5-9-10(6)2/h4-5H,3H2,1-2H3
InChIKeyOLMUNWKKSMIJQJ-UHFFFAOYSA-N
XLogP0.17
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(1-methyl-1H-pyrazol-3-yl)-3-oxopropanoate
CID 671233
methyl 2-(1-methyl-1H-pyrazol-3-yl)acetate
CID 13269736
ethyl 3-(1-methyl-1H-pyrazol-5-yl)-3-oxopropanoate
CID 104877518
methyl 3-(1-methyl-1H-pyrazol-3-yl)-3-oxopropanoate
CID 82654745
methyl2-(4-bromo-1-methyl-1H-pyrazol-3-yl)-2-oxoacetate
CID 165445506
methyl 2-(1-methyl-1H-pyrazol-3-yl)-2-oxoacetate
CID 165605157
ethyl 2,2-difluoro-2-(1-methyl-1H-pyrazol-5-yl)acetate
CID 63963308
2-(1-Methyl-1h-pyrazol-3-yl)-2-oxoacetic acid
CID 131035117
Ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate
CID 63974853
Ethyl 2-(2-ethylpyrazol-3-yl)-2,2-difluoroacetate
CID 63976759
Ethyl 2-fluoro-2-(2-methylpyrazol-3-yl)acetate
CID 79366434
Ethyl 2-(2-ethylpyrazol-3-yl)-2-fluoroacetate
CID 79366518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate (CID 83391149) is ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate is CCOC(=O)C(=O)c1ccnn1C.
What is the InChIKey of ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate?
The InChIKey is OLMUNWKKSMIJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-13-8(12)7(11)6-4-5-9-10(6)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate?
ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate has a molecular weight of 182.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpyrazol-3-yl)-2-oxoacetate is sourced from PubChem (CID 83391149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).