1,5-Dimethyl-4-pyrazoleboronic Acid - CAS 1204333-57-2

Catalog:	BB004867
Product Name:	1,5-Dimethyl-4-pyrazoleboronic Acid
CAS:	1204333-57-2
Synonyms:	(1,5-dimethyl-4-pyrazolyl)boronic acid; (1,5-dimethylpyrazol-4-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(1,5-dimethylpyrazol-4-yl)boronic acid
Description:	1,5-Dimethylpyrazole-4-boronic Acid acts as a reagent in the preparation of pyrrolopyridazine JAK3 inhibitors and their use for treatment of inflammatory and autoimmune diseases.
Molecular Weight:	139.95
Molecular Formula:	C5H9N2O2B
Canonical SMILES:	B(C1=C(N(N=C1)C)C)(O)O
InChI:	InChI=1S/C5H9BN2O2/c1-4-5(6(9)10)3-7-8(4)2/h3,9-10H,1-2H3
InChI Key:	NAYVNBPKYJFKQA-UHFFFAOYSA-N
LogP:	-1.59170

Publication Number	Title	Priority Date
WO-2021165497-A1	2,3,5-substituted pyrrolo[2,3-b]pyridines as erbb modulators useful for treating cancer	20200220
WO-2021018047-A1	Pyridine derivative as fgfr and vegfr dual inhibitors	20190726
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
WO-2020223255-A1	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429
TW-202106669-A	3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2	20190429

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
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:	1
Topological Polar Surface Area:	58.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0