Ethyl 4-pyrazolecarboxylate - CAS 37622-90-5

Catalog:	BB023365
Product Name:	Ethyl 4-pyrazolecarboxylate
CAS:	37622-90-5
Synonyms:	ethyl 1H-pyrazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 1H-pyrazole-4-carboxylate
Description:	Used for the synthesis of isoxazole-4-carboxylic acid derivatives and isoxazole-3,5-dicarboxamides as herbicides.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CCOC(=O)C1=CNN=C1
InChI:	InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChI Key:	KACZQOKEFKFNDB-UHFFFAOYSA-N
Boiling Point:	138-140 °C (3 mmHg)
Purity:	97.0 %
Density:	1.214 g/cm³
MDL:	MFCD00010844
LogP:	0.58640

Publication Number	Title	Priority Date
CN-112480006-A	Synthetic preparation method of 4-pyrazole ethyl formate	20201201
WO-2021210650-A1	Aryl or heteroaryl derivative	20200416
WO-2021208963-A1	Bcl-2 inhibitor	20200415
CN-113509467-A	Compound for treating pulmonary hypertension and application thereof	20200409
WO-2021205290-A1	Compounds and method of treating covid-19	20200405

PMID	Publication Date	Title	Journal
19362486	20090501	1-Methyl and 1-(2-hydroxyalkyl)-5-(3-alkyl/cycloalkyl/phenyl/naphthylureido)-1H-pyrazole-4-carboxylic acid ethyl esters as potent human neutrophil chemotaxis inhibitors	Bioorganic & medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Pyrazoles

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[1431964-06-5]
3-[(4-Aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid hydrochloride
[1431964-45-2]
3-[(4-Aminopyrazol-1-yl)methyl]benzoic acid hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4