Ethyl 2-(1-Pyrazolyl)acetate - CAS 10199-61-8

Catalog:	BB000728
Product Name:	Ethyl 2-(1-Pyrazolyl)acetate
CAS:	10199-61-8
Synonyms:	2-(1-pyrazolyl)acetic acid ethyl ester; ethyl 2-pyrazol-1-ylacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-pyrazol-1-ylacetate
Description:	Ethyl 2-(1-Pyrazolyl)acetate (CAS# 10199-61-8) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CCOC(=O)CN1C=CC=N1
InChI:	InChI=1S/C7H10N2O2/c1-2-11-7(10)6-9-5-3-4-8-9/h3-5H,2,6H2,1H3
InChI Key:	SEHJVNBWAGPXSM-UHFFFAOYSA-N
Boiling Point:	236.9 °C at 760 mmHg
Density:	1.14 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00159620
LogP:	0.44620

Publication Number	Title	Priority Date
JP-2019518799-A	Novel compounds as autotaxin inhibitors and pharmaceutical compositions containing them	20170517
US-2018282331-A1	7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS	20151109
WO-2017081615-A1	7-oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections	20151109
CN-104662014-B	Pyrimidine pyrazolyl derivatives	20120710
DE-102012101248-A1	Acylhydrazones and their use to prevent the formation or abolition of tumors resistance to cytotoxic agents	20120216

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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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6