1-Ethylpyrazole-4-boronic Acid - CAS 847818-56-8

Catalog:	BB037306
Product Name:	1-Ethylpyrazole-4-boronic Acid
CAS:	847818-56-8
Synonyms:	(1-ethyl-4-pyrazolyl)boronic acid; (1-ethylpyrazol-4-yl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(1-ethylpyrazol-4-yl)boronic acid
Description:	1-Ethylpyrazole-4-boronic Acid (CAS# 847818-56-8) is a useful research chemical.
Molecular Weight:	139.95
Molecular Formula:	C5H9N2O2B
Canonical SMILES:	B(C1=CN(N=C1)CC)(O)O
InChI:	InChI=1S/C5H9BN2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4,9-10H,2H2,1H3
InChI Key:	IIBSDEGSGLVNOY-UHFFFAOYSA-N
MDL:	MFCD10703521
LogP:	-1.41720

Publication Number	Title	Priority Date
WO-2021008455-A1	Ret selective inhibitor, preparation method therefor and use thereof	20190712
CN-112209925-A	RET selective inhibitor and preparation method and application thereof	20190712
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WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613

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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