Methyl 5-Bromopyrazole-3-carboxylate - CAS 1328893-17-9

Catalog:	BB007651
Product Name:	Methyl 5-Bromopyrazole-3-carboxylate
CAS:	1328893-17-9
Synonyms:	5-bromo-1H-pyrazole-3-carboxylic acid methyl ester; methyl 5-bromo-1H-pyrazole-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-bromo-1H-pyrazole-3-carboxylate
Description:	Methyl 5-Bromopyrazole-3-carboxylate (CAS# 1328893-17-9) is a useful research chemical.
Molecular Weight:	205.01
Molecular Formula:	C5H5BrN2O2
Canonical SMILES:	COC(=O)C1=NNC(=C1)Br
InChI:	InChI=1S/C5H5BrN2O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H,7,8)
InChI Key:	RLDJSZKPUPTTNO-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD23701497
LogP:	0.95880

Publication Number	Title	Priority Date
WO-2021070132-A1	Bi-aryl dihydroorotate dehydrogenase inhibitors	20191010
WO-2020160180-A1	Compounds and uses thereof	20190129
WO-2020072964-A1	Fused pyrrolines which act as ubiquitin-specific protease 30 (usp30) inhibitors	20181005
CN-113166108-A	Fused pyrrolines as inhibitors of ubiquitin-specific protease 30(USP30)	20181005
EP-3860989-A1	Fused pyrrolines which act as ubiquitin-specific protease 30 (usp30) inhibitors	20181005

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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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+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.95344
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.95344
Rotatable Bond Count:	2
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4