1-Boc-3-(4-nitro-1-pyrazolyl)azetidine - CAS 1314987-79-5

Catalog:	BB007433
Product Name:	1-Boc-3-(4-nitro-1-pyrazolyl)azetidine
CAS:	1314987-79-5
Synonyms:	3-(4-nitro-1-pyrazolyl)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(4-nitropyrazol-1-yl)azetidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-(4-nitropyrazol-1-yl)azetidine-1-carboxylate
Description:	1-Boc-3-(4-nitro-1-pyrazolyl)azetidine (CAS# 1314987-79-5 ) is a useful research chemical.
Molecular Weight:	268.27
Molecular Formula:	C11H16N4O4
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)N2C=C(C=N2)[N+](=O)[O-]
InChI:	InChI=1S/C11H16N4O4/c1-11(2,3)19-10(16)13-5-9(6-13)14-7-8(4-12-14)15(17)18/h4,7,9H,5-6H2,1-3H3
InChI Key:	IOGPBTPTPJYTFK-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.04420

Publication Number	Title	Priority Date
WO-2021168521-A1	Inhibitors of necroptosis	20200227
WO-2021069721-A1	Atf6 modulators and uses thereof	20191009
WO-2020119819-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
TW-202039474-A	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
EP-3877381-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214

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Related Functional Groups

Azetidines

[1638761-21-3]
tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate
[1638744-75-8]
tert-Butyl (2R,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
[54773-11-4]
ethyl 1-benzylazetidine-2-carboxylate
[1864803-36-0]
N,1-Di-Boc-3-(4-bromophenyl)-3-azetidinamine
[935669-28-6]
3-Methylazetidine Hydrochloride
[1466515-56-9]
3-Methylazetidine trifluoroacetic acid

Complexity:	370
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.117155
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	268.117155
Rotatable Bond Count:	3
Topological Polar Surface Area:	93.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7