4-Amino-1-(2-methoxyethyl)-1H-pyrazole - CAS 948570-74-9

Name: 4-Amino-1-(2-methoxyethyl)-1H-pyrazole
Brand: BOC Sciences
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Catalog:	BB041568
Product Name:	4-Amino-1-(2-methoxyethyl)-1H-pyrazole
CAS:	948570-74-9
Synonyms:	1-(2-methoxyethyl)-4-pyrazolamine; 1-(2-methoxyethyl)pyrazol-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1-(2-methoxyethyl)pyrazol-4-amine
Description:	4-Amino-1-(2-methoxyethyl)-1H-pyrazole (CAS# 948570-74-9) is a useful research chemical.
Molecular Weight:	141.17
Molecular Formula:	C6H11N3O
Canonical SMILES:	COCCN1C=C(C=N1)N
InChI:	InChI=1S/C6H11N3O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3,7H2,1H3
InChI Key:	LURMHCWOXHNATM-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD09965625
LogP:	0.69290

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Related Functional Groups

Pyrazoles

[890092-87-2]C9H12N2O3
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]C9H16ClN3
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

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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

Publication Number	Title	Priority Date
WO-2021062327-A1	Fused pyrimidine compounds, compositions and medicinal applications thereof	20190927
WO-2021062036-A1	Jak inhibitors	20190925
WO-2021003314-A1	Heterocyclic compounds as kinase inhibitors	20190702
WO-2020206588-A1	Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20190408
WO-2020207414-A1	Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20190408

Complexity:	99
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.090211983
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.090211983
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7