1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone

C₁₀H₁₀N₂O₄SCAS 89-36-1254.26 g/mol

Open in Covalent MOL file

Alcohol Amide Sulfone

Properties

Molecular formula: C₁₀H₁₀N₂O₄S
Molar mass: 254.26 g/mol
Exact mass: 254.0361 Da
Melting point: 306 °C
logP: 1.05Crippen estimate
Polar surface area: 87.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

89-36-1

SMILES

CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1

InChIKey

CWJQQASJVVAXKL-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all

Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Benzenesulfonic acid, p-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
3-Methyl-1-(p-sulfophenyl)-5-pyrazolone
Pyrazoline G
1-(p-Sulfophenyl)-3-methyl-5-pyrazolone
p-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
3-Methyl-1-(4-sulfophenyl)-5-pyrazolone
3-Methyl-1-(p-sulfophenyl)-2-pyrazolin-5-one
1-(4-Sulfophenyl)-3-methyl-5-pyrazolone
1-(p-Sulfophenyl)-3-methylpyrazolin-5-one
3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid
3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one
3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone
NSC 26429
NSC 4752
4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid

Work with 1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone119-17-5

Elsewhere

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