Ethyl 5-Formylpyrazole-3-carboxylate - CAS 93290-12-1

Name: Ethyl 5-Formylpyrazole-3-carboxylate
Brand: BOC Sciences
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Catalog:	BB040840
Product Name:	Ethyl 5-Formylpyrazole-3-carboxylate
CAS:	93290-12-1
Synonyms:	5-formyl-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 5-formyl-1H-pyrazole-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-formyl-1H-pyrazole-3-carboxylate
Description:	Ethyl 5-Formylpyrazole-3-carboxylate (CAS# 93290-12-1) is a useful research chemical.
Molecular Weight:	168.15
Molecular Formula:	C7H8N2O3
Canonical SMILES:	CCOC(=O)C1=NNC(=C1)C=O
InChI:	InChI=1S/C7H8N2O3/c1-2-12-7(11)6-3-5(4-10)8-9-6/h3-4H,2H2,1H3,(H,8,9)
InChI Key:	DURUTRWXAPRQHM-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	0.39890

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2020054670-A1	Novel heteroaromatic amide derivative and medicine containing same	20180910
JP-WO2020054670-A1	New heteroaromatic amide derivatives and pharmaceuticals containing them	20180910
WO-2013143663-A1	Bicyclic pyrazinone derivatives	20120328
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05349212
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.05349212
Rotatable Bond Count:	4
Topological Polar Surface Area:	72 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6