Benzenesulfonic acid, 5-amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]-

5-amino-2-[2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid

CAS: 119-74-4

Molecular Formula	`C18H17N3O7S2`
Molecular Weight	451.5 g/mol
LogP	0.4
Topological Polar Surface Area	184.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	451.05078
Heavy Atoms	30
Complexity	934.0

Chemical Identifiers

CAS Number	119-74-4
SMILES	`CC1=NN(C(=O)C1)C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O`
InChIKey	`OQZZKKAUSICVQC-UHFFFAOYSA-N`

📖 Product Overview

Benzenesulfonic acid, 5-amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]- (CAS: 119-74-4) is a chemical compound with molecular formula C18H17N3O7S2 and molecular weight 451.5 g/mol. Its IUPAC systematic name is 5-amino-2-[2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid. LogP 0.4 Topological Polar Surface Area 184.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 451.05078 Heavy Atoms 30 Complexity 934.0 InChI Key: OQZZKKAUSICVQC-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1)C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O.

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