Methyl 1-Methyl-1H-pyrazole-5-carboxylate - CAS 17827-60-0

Catalog:	BB013438
Product Name:	Methyl 1-Methyl-1H-pyrazole-5-carboxylate
CAS:	17827-60-0
Synonyms:	2-methyl-3-pyrazolecarboxylic acid methyl ester; methyl 2-methylpyrazole-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-methylpyrazole-3-carboxylate
Description:	Methyl 1-Methyl-1H-pyrazole-5-carboxylate (CAS# 17827-60-0) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CN1C(=CC=N1)C(=O)OC
InChI:	InChI=1S/C6H8N2O2/c1-8-5(3-4-7-8)6(9)10-2/h3-4H,1-2H3
InChI Key:	CECCPWAWRYFLOA-UHFFFAOYSA-N
Boiling Point:	221.622 °C at 760 mmHg
Density:	1.188 g/cm³
MDL:	MFCD04967357
LogP:	0.20670

Publication Number	Title	Priority Date
CN-111792990-A	Unsaturated ketone compound, preparation method and application thereof	20190409
WO-2019120088-A1	Isoxazole derivative, preparation method therefor, and use thereof	20171222
BR-112019011035-A2	methods of using substituted pyrazole and pyrazole compounds and for the treatment of hyperproliferative diseases	20161130
US-2019337971-A1	Pantetheine derivatives for the treatment of neurologic disorders	20160725
AU-2016366977-A1	Cyclic phosphates and cyclic phosphoramidates for the treatment of neurologic disorders	20151208

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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GHS Hazard Statement:	H302 (100%): 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

Complexity:	138
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4