5-Bromopyrazole-3-carboxylic Acid - CAS 1328893-16-8

Catalog:	BB007650
Product Name:	5-Bromopyrazole-3-carboxylic Acid
CAS:	1328893-16-8
Synonyms:	5-bromo-1H-pyrazole-3-carboxylic acid; 5-bromo-1H-pyrazole-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1H-pyrazole-3-carboxylic acid
Description:	5-Bromopyrazole-3-carboxylic Acid (CAS# 1328893-16-8) is a useful reagent for the preparation of novel inhibitors of Rho/MRTF/SRF transcription as potential antifibrotics for scleroderma.
Molecular Weight:	190.98
Molecular Formula:	C4H3BrN2O2
Canonical SMILES:	C1=C(NN=C1C(=O)O)Br
InChI:	InChI=1S/C4H3BrN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChI Key:	OOKGNGYUNBYGEL-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	0.87040

Publication Number	Title	Priority Date
CN-113480518-A	Method for synthesizing chlorantraniliprole	20210708
WO-2020160180-A1	Compounds and uses thereof	20190129
CN-104844567-B	A kind of synthetic method of intermediate 1 (3 chlorine, 2 pyridine radicals) 3 bromine 1H, 5 pyrazole carboxylic acids	20150423
EP-3204379-A1	Pyrrolidine amide compounds as histone demethylase inhibitors	20141010
EP-3204379-B1	Pyrrolidine amide compounds as histone demethylase inhibitors	20141010

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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:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.93779
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.93779
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1