4-Methyl-1H-pyrazole-1-acetic Acid - CAS 956364-44-6

Catalog:	BB041785
Product Name:	4-Methyl-1H-pyrazole-1-acetic Acid
CAS:	956364-44-6
Synonyms:	2-(4-methyl-1-pyrazolyl)acetic acid; 2-(4-methylpyrazol-1-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methylpyrazol-1-yl)acetic acid
Description:	4-Methyl-1H-pyrazole-1-acetic Acid (CAS# 956364-44-6) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CC1=CN(N=C1)CC(=O)O
InChI:	InChI=1S/C6H8N2O2/c1-5-2-7-8(3-5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChI Key:	FCUDOROFFCNCNP-UHFFFAOYSA-N
MDL:	MFCD03419610
LogP:	0.27610

Publication Number	Title	Priority Date
WO-2021132524-A1	Epoxy azepan derivative	20191225
WO-2021065898-A1	Azepan derivative	20190930
WO-2019152437-A1	Compounds and uses thereof	20180130
CA-2941408-A1	Novel imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as lrrk2 inhibitors	20150914
JP-2018526422-A	Novel imidazo [4,5-c] quinoline and imidazo [4,5-c] [1,5] naphthyridine derivatives as LRRK2 inhibitors	20150914

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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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:	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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3