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Ethyl 5-Bromo-1-methylpyrazole-4-carboxylate

Ethyl 5-Bromo-1-methylpyrazole-4-carboxylate - CAS 105486-72-4

Catalog:	BB001654
Product Name:	Ethyl 5-Bromo-1-methylpyrazole-4-carboxylate
CAS:	105486-72-4
Synonyms:	5-bromo-1-methyl-4-pyrazolecarboxylic acid ethyl ester; ethyl 5-bromo-1-methylpyrazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-bromo-1-methylpyrazole-4-carboxylate
Description:	Ethyl 5-Bromo-1-methylpyrazole-4-carboxylate (CAS# 105486-72-4 ) is a useful research chemical.
Molecular Weight:	233.06
Molecular Formula:	C7H9BrN2O2
Canonical SMILES:	CCOC(=O)C1=C(N(N=C1)C)Br
InChI:	InChI=1S/C7H9BrN2O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3H2,1-2H3
InChI Key:	OMQVPOJHVUMCGK-UHFFFAOYSA-N
Boiling Point:	290.717 °C at 760 mmHg
Density:	1.588 g/cm³
LogP:	1.35930

Publication Number	Title	Priority Date
US-2020323904-A1	3-substituted piperidine compounds for cbl-b inhibition, and use of a cbl-b inhibitor in combination with a cancer vaccine and/or oncolytic virus	20190409
WO-2020210508-A1	3-substituted piperidine compounds for cbl-b inhibition, and use of a cbl-b inhibitor in combination with a cancer vaccine and/or oncolytic virus	20190409
WO-2020127685-A1	Amino-acid anilides as small molecule modulators of il-17	20181219
TW-202039473-A	Small molecule modulators of il-17	20181219
CN-113164448-A	Amino acid anilines as small molecule modulators of IL-17	20181219

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Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.98474
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.98474
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5