3-Methylpyrazole-4-boronic Acid - CAS 1071455-14-5

Catalog:	BB001982
Product Name:	3-Methylpyrazole-4-boronic Acid
CAS:	1071455-14-5
Synonyms:	(5-methyl-1H-pyrazol-4-yl)boronic acid; (5-methyl-1H-pyrazol-4-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(5-methyl-1H-pyrazol-4-yl)boronic acid
Description:	3-Methylpyrazole-4-boronic Acid (CAS# 1071455-14-5) is a useful research chemical compound.
Molecular Weight:	125.92
Molecular Formula:	C4H7N2O2B
Canonical SMILES:	B(C1=C(NN=C1)C)(O)O
InChI:	InChI=1S/C4H7BN2O2/c1-3-4(5(8)9)2-6-7-3/h2,8-9H,1H3,(H,6,7)
InChI Key:	ZYXMOCKFGABUGK-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C
LogP:	-1.60210

Publication Number	Title	Priority Date
CN-113121528-A	Multi-target inhibition compound, composition, functional molecule and application thereof	20200115
CN-110642880-A	Preparation method of nitrogen unsubstituted pyrazole and indazole boric acid	20191011
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
WO-2020177629-A1	Spiro-substituted pyrimidine-fused cyclic compound, preparation method therefor and medical use thereof	20190301
US-2020405697-A1	Antitumor Agent	20171129

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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:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.0600576
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	126.0600576
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0