1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole (CHEBI:59995)

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CHEBI:59995 - 1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole

ChEBI ID	CHEBI:59995
ChEBI Name	1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole
Stars
Definition	A 4,5-dihydropyrazole having p-sulfophenyl-, carboxy-, amino- and oxo substituents at the 1-, 3-, 4- and 5-positions respectively.
Last Modified	24 August 2017
Submitter	Steve
Downloads	Molfile

Formula	C10H9N3O6S
Net Charge	0
Average Mass	299.264
Monoisotopic Mass	299.02121
SMILES	NC1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C(=O)O
InChI	InChI=1S/C10H9N3O6S/c11-7-8(10(15)16)12-13(9(7)14)5-1-3-6(4-2-5)20(17,18)19/h1-4,7H,11H2,(H,15,16)(H,17,18,19)
InChIKey	VBKMDGXBOWYWHE-UHFFFAOYSA-N

Roles Classification

Chemical Roles:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

inorganic acid A Brønsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water.

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole (CHEBI:59995) has functional parent antipyrine (CHEBI:31225)
	1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole (CHEBI:59995) is a amino acid (CHEBI:33709)
	1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole (CHEBI:59995) is a monocarboxylic acid (CHEBI:25384)
	1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole (CHEBI:59995) is a pyrazoles (CHEBI:26410)
	1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole (CHEBI:59995) is a sulfonic acid (CHEBI:29214)

IUPAC Name
4-amino-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

Synonyms	Source
SCAOP	ChemIDplus
4-Amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid	ChemIDplus

Registry Numbers	Sources
Reaxys:839911	Reaxys
CAS:2508-84-1	ChemIDplus

Citations