Ethyl 3-Amino-1H-pyrazole-5-carboxylate - CAS 1886994-04-2

Catalog:	BB014539
Product Name:	Ethyl 3-Amino-1H-pyrazole-5-carboxylate
CAS:	1886994-04-2
Synonyms:	3-amino-1H-pyrazole-5-carboxylic acid ethyl ester; ethyl 3-amino-1H-pyrazole-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-amino-1H-pyrazole-5-carboxylate
Description:	Ethyl 3-Amino-1H-pyrazole-5-carboxylate (CAS# 1886994-04-2 ) is a useful research chemical.
Molecular Weight:	155.15
Molecular Formula:	C6H9N3O2
Canonical SMILES:	CCOC(=O)C1=CC(=NN1)N
InChI:	InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9)
InChI Key:	CPQKGGOPHDHAMN-UHFFFAOYSA-N
LogP:	0.74980

Publication Number	Title	Priority Date
CN-111423377-A	5-amino-1H-pyrazole derivative, preparation method and medical application	20200512
CN-111423377-B	5-amino-1H-pyrazole derivative, preparation method and medical application	20200512
WO-2021209552-A1	Pyrazolo[1,5-d][1,2,4]triazine-5(4h)-acetamides as inhibitors of the nlrp3 inflammasome pathway	20200415
WO-2021210586-A1	Condensed heterocyclic compound	20200414
US-2021292301-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.069476538
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	155.069476538
Rotatable Bond Count:	3
Topological Polar Surface Area:	81 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4