1-Ethylpyrazole-5-boronic Acid - CAS 1095080-54-8

Catalog:	BB002504
Product Name:	1-Ethylpyrazole-5-boronic Acid
CAS:	1095080-54-8
Synonyms:	(2-ethyl-3-pyrazolyl)boronic acid; (2-ethylpyrazol-3-yl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-ethylpyrazol-3-yl)boronic acid
Description:	1-Ethylpyrazole-5-boronic Acid (CAS# 1095080-54-8) is a useful research chemical.
Molecular Weight:	139.95
Molecular Formula:	C5H9N2O2B
Canonical SMILES:	B(C1=CC=NN1CC)(O)O
InChI:	InChI=1S/C5H9BN2O2/c1-2-8-5(6(9)10)3-4-7-8/h3-4,9-10H,2H2,1H3
InChI Key:	ZMKALWZRSCXBEY-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	-1.41720

Publication Number	Title	Priority Date
CN-113121528-A	Multi-target inhibition compound, composition, functional molecule and application thereof	20200115
WO-2021143729-A1	Compound, composition and functional molecule with multi-target inhibiting effect and use thereof	20200115
US-2020270244-A1	Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors	20190129
WO-2020159905-A1	Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors	20190129
TW-202043226-A	Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors	20190129

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Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.0757077
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.0757077
Rotatable Bond Count:	2
Topological Polar Surface Area:	58.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0