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3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic Acid

3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic Acid - CAS 113100-56-4

Catalog:	BB059264
Product Name:	3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic Acid
CAS:	113100-56-4
Synonyms:	3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid; 3-methoxy-1-methylpyrazole-4-carboxylic acid; 1H-Pyrazole-4-carboxylic acid, 3-methoxy-1-methyl-

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Computed Properties

IUPAC Name:	3-methoxy-1-methylpyrazole-4-carboxylic acid
Description:	3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid (cas# 113100-56-4) is a useful research chemical.
Molecular Weight:	156.13
Molecular Formula:	C6H8N2O3
Canonical SMILES:	CN1C=C(C(=N1)OC)C(=O)O
InChI:	InChI=1S/C6H8N2O3/c1-8-3-4(6(9)10)5(7-8)11-2/h3H,1-2H3,(H,9,10)
InChI Key:	VABYAAYEPSRUOM-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021250102-A1	Macrocyclic 2-amino-3-fluoro-but-3-enamides as inhibitors of mcl-1	20200610
US-2021179570-A1	Processes and intermediates for preparing mcl1 inhibitors	20191126
WO-2021108254-A1	Processes and intermediates for preparing mcl1 inhibitors	20191126
US-2021171543-A1	Mcl1 inhibitors	20191112
WO-2021096860-A1	Mcl1 inhibitors	20191112
TW-202128714-A	Mcl1 inhibitors	20191112
US-2020102311-A1	Monoacylglycerol Lipase Modulators	20180928
WO-2020065614-A1	Monoacylglycerol lipase modulators	20180928
AU-2019349962-A1	Monoacylglycerol lipase modulators	20180928
TW-202035409-A	Monoacylglycerol lipase modulators	20180928

PMID	Publication Date	Title	Journal
12127514	20020819	Synthesis and hypoglycemic evaluation of substituted pyrazole-4-carboxylic acids	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.05349212
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.05349212
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1