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

C₁₀H₁₀N₂O₄SCAS 119-17-5254.26 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
logP: 1.05Crippen estimate
Polar surface area: 87.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

119-17-5

SMILES

CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1

InChIKey

VEMGKBUHUTYHHA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Benzenesulfonic acid, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
m-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
3-Methyl-1-(m-sulfophenyl)-2-pyrazolin-5-one
1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
3-Methyl-1-(3-sulfophenyl)-5-pyrazolone
3-Methyl-1-(3′-sulfophenyl)-5-pyrazolone
3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid
NSC 15354
NSC 50668

Work with 1-(3′-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-(4′-Sulfophenyl)-3-methyl-5-pyrazolone89-36-1

Elsewhere

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