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Ethyl 1-Methyl-3-oxo-2,3-dihydropyrazole-4-carboxylate

Ethyl 1-Methyl-3-oxo-2,3-dihydropyrazole-4-carboxylate - CAS 103626-03-5

Catalog:	BB001187
Product Name:	Ethyl 1-Methyl-3-oxo-2,3-dihydropyrazole-4-carboxylate
CAS:	103626-03-5
Synonyms:	2-methyl-5-oxo-1H-pyrazole-4-carboxylic acid ethyl ester; ethyl 2-methyl-5-oxo-1H-pyrazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-methyl-5-oxo-1H-pyrazole-4-carboxylate
Description:	Ethyl 1-Methyl-3-oxo-2,3-dihydropyrazole-4-carboxylate (CAS# 103626-03-5) is a useful research chemical.
Molecular Weight:	170.17
Molecular Formula:	C7H10N2O3
Canonical SMILES:	CCOC(=O)C1=CN(NC1=O)C
InChI:	InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4-9(2)8-6(5)10/h4H,3H2,1-2H3,(H,8,10)
InChI Key:	YWMNONDJOJDGQH-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	0.30240

Publication Number	Title	Priority Date
CN-112062720-A	Continuous preparation method of 1-methyl-3-hydroxypyrazole-4-carboxylic acid ethyl ester	20200910
US-2021171543-A1	Mcl1 inhibitors	20191112
WO-2021096860-A1	Mcl1 inhibitors	20191112
CN-112441978-A	Preparation method of 1-methyl-5-hydroxypyrazole-4-carboxylic acid ethyl ester	20190829
US-2021047345-A1	Process of making cftr modulators	20190814

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.06914219
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.06914219
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3