ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate

C10H14N2O3 — CID 6422536

IUPACethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cc(C)nn1C
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)6-9(13)8-5-7(2)11-12(8)3/h5H,4,6H2,1-3H3
InChIKeyCZWRZJMYVBZWSZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.86
Rot. Bonds4

About ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate

ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate (PubChem CID 6422536) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate
PubChem CID6422536
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cc(C)nn1C
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)6-9(13)8-5-7(2)11-12(8)3/h5H,4,6H2,1-3H3
InChIKeyCZWRZJMYVBZWSZ-UHFFFAOYSA-N
XLogP0.86
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butanoate
CID 61039145
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039125
N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid
CID 66129033
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
CID 82723366
ethyl 3-(2-methyl-1,2,4-triazol-3-yl)-3-oxopropanoate
CID 58066099
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741
N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide
CID 66195288
ethyl 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-oxopentanoate
CID 103485728
2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105088833

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate?
The IUPAC name of ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate (CID 6422536) is ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate.
What is the SMILES notation for ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate?
The canonical SMILES for ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate is CCOC(=O)CC(=O)c1cc(C)nn1C.
What is the InChIKey of ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate?
The InChIKey is CZWRZJMYVBZWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-15-10(14)6-9(13)8-5-7(2)11-12(8)3/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate?
ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate has a molecular weight of 210.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate is sourced from PubChem (CID 6422536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).