1-Boc-1H-pyrazole-5-boronic Acid - CAS 1217500-54-3

Catalog:	BB005258
Product Name:	1-Boc-1H-pyrazole-5-boronic Acid
CAS:	1217500-54-3
Synonyms:	[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrazolyl]boronic acid; [2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid
Description:	1-Boc-1H-pyrazole-5-boronic Acid (CAS# 1217500-54-3) is a useful research chemical.
Molecular Weight:	212.01
Molecular Formula:	C8H13N2O4B
Canonical SMILES:	B(C1=CC=NN1C(=O)OC(C)(C)C)(O)O
InChI:	InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-6(9(13)14)4-5-10-11/h4-5,13-14H,1-3H3
InChI Key:	BMAIJKCROWPJPY-UHFFFAOYSA-N
Storage:	Sealed in dry, Store in freezer, under -20 °C
MDL:	MFCD12025961
LogP:	-0.65390

Publication Number	Title	Priority Date
WO-2021097057-A1	5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity	20191112
CN-110734437-A	Pyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof	20180719
US-2019322658-A1	Antiproliferation compounds and uses thereof	20180424
WO-2019209759-A1	Antiproliferation compounds and uses thereof	20180424
AU-2019261308-A1	Antiproliferation compounds and uses thereof	20180424

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[10365-98-7]
3-Methoxybenzeneboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0968371
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	212.0968371
Rotatable Bond Count:	3
Topological Polar Surface Area:	84.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0