1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride

C₆H₉ClN₂O₂SCAS 59340-27-1208.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₉ClN₂O₂S
Molar mass: 208.66 g/mol
Exact mass: 208.0073 Da
logP: 0.96Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

59340-27-1

SMILES

Cc1nn(C)c(C)c1S(=O)(=O)Cl

InChIKey

QLSAMUCENQZGHN-UHFFFAOYSA-N

InChI

InChI=1S/C6H9ClN2O2S/c1-4-6(12(7,10)11)5(2)9(3)8-4/h1-3H3

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Names and synonyms

3 names

1H-Pyrazole-4-sulfonyl chloride, 1,3,5-trimethyl-
Pyrazole-4-sulfonyl chloride, 1,3,5-trimethyl-
1,3,5-Trimethyl-4-pyrazolesulfonyl chloride

Work with 1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride

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

Similar compounds

1,3,5-Trimethyl-1H-pyrazol-4-amine28466-21-944 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-741 % similar Pentamethylbenzenesulfonyl chloride52499-94-241 % similar 2,4-Dimethylthiazole-5-sulfonyl chloride80466-80-436 % similar 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole844891-04-936 % similar 2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-035 % similar Mesitylenesulfonyl chloride773-64-835 % similar 1,2-Dimethyl-1H-imidazole-4-sulfonyl chloride137049-02-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)435342-17-9

Elsewhere

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