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

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ChEBI Name 1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole
ChEBI ID CHEBI:59995
Definition A 4,5-dihydropyrazole having p-sulfophenyl-, carboxy-, amino- and oxo substituents at the 1-, 3-, 4- and 5-positions respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H9N3O6S
Net Charge 0
Average Mass 299.26000
Monoisotopic Mass 299.02121
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
SMILES NC1C(=O)N(N=C1C(O)=O)c1ccc(cc1)S(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
inorganic acid
A Bronsted 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.
(via chalcogen oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-Amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid ChemIDplus
SCAOP ChemIDplus
Registry Numbers Types Sources
2508-84-1 CAS Registry Number ChemIDplus
839911 Beilstein Registry Number Beilstein
839911 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
2409032 PubMed citation Europe PMC
Last Modified
24 August 2017