Ethyl 2-(3-Pyrazolyl)acetate - CAS 82668-50-6

Catalog:	BB036874
Product Name:	Ethyl 2-(3-Pyrazolyl)acetate
CAS:	82668-50-6
Synonyms:	2-(1H-pyrazol-5-yl)acetic acid ethyl ester; ethyl 2-(1H-pyrazol-5-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(1H-pyrazol-5-yl)acetate
Description:	Ethyl 2-(3-Pyrazolyl)acetate (CAS# 82668-50-6) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CCOC(=O)CC1=CC=NN1
InChI:	InChI=1S/C7H10N2O2/c1-2-11-7(10)5-6-3-4-8-9-6/h3-4H,2,5H2,1H3,(H,8,9)
InChI Key:	MZLKPCAZQWMXFD-UHFFFAOYSA-N
Boiling Point:	289.5 °C at 760 mmHg
Density:	1.183 g/cm³
LogP:	0.51530

Publication Number	Title	Priority Date
WO-2020257429-A1	Ectonucleotidase inhibitors and methods of use thereof	20190620
WO-2020135771-A1	Heterocyclic compound intermediate, preparation method therefor and application thereof	20181229
EP-3889154-A1	Heterocyclic compound intermediate, preparation method therefor and application thereof	20181229
KR-20210113254-A	Heterocyclic compounds, intermediates, preparation methods and uses thereof	20181229
US-2020148705-A1	Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein	20181109

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
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[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	4
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4