4-Amino-1H-pyrazole-1-acetic acid dihydrochloride - CAS 1201935-99-0

Catalog:	BB004752
Product Name:	4-Amino-1H-pyrazole-1-acetic acid dihydrochloride
CAS:	1201935-99-0
Synonyms:	2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride
Description:	4-Amino-1H-pyrazole-1-acetic acid dihydrochloride (CAS# 1201935-99-0) is a useful research chemical.
Molecular Weight:	214.05
Molecular Formula:	C5H9Cl2N3O2
Canonical SMILES:	C1=C(C=NN1CC(=O)O)N.Cl.Cl
InChI:	InChI=1S/C5H7N3O2.2ClH/c6-4-1-7-8(2-4)3-5(9)10;;/h1-2H,3,6H2,(H,9,10);2*1H
InChI Key:	VZGOEOIGWITZPI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2013265307-A1	Heterocyclyl pyrimidine analogues as TYK2 inhibitors	20120524
AU-2013265307-B2	Heterocyclyl pyrimidine analogues as TYK2 inhibitors	20120524
CA-2875990-A1	Heterocyclyl pyrimidine analogues as tyk2 inhibitors	20120524
CN-104507929-A	Heterocyclyl pyrimidine analogues as tyk2 inhibitors	20120524
EP-2855451-A1	Heterocyclyl pyrimidine analogues as tyk2 inhibitors	20120524

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Related Functional Groups

Pyrazoles

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(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.0071819
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	213.0071819
Rotatable Bond Count:	2
Topological Polar Surface Area:	81.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0