Ethyl 3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylate

C₇H₁₀ClN₃O₄SCAS 100784-26-7267.68 g/mol

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Aryl halide Ester Sulfonamide

Properties

Molecular formula: C₇H₁₀ClN₃O₄S
Molar mass: 267.68 g/mol
Exact mass: 267.0081 Da
logP: -0.10Crippen estimate
Polar surface area: 104.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Identifiers

CAS number

100784-26-7

SMILES

CCOC(=O)C1=C(N(N=C1Cl)C)S(=O)(=O)N

InChIKey

VPTSMJHJEDWLSP-UHFFFAOYSA-N

InChI

InChI=1S/C7H10ClN3O4S/c1-3-15-7(12)4-5(8)10-11(2)6(4)16(9,13)14/h3H2,1-2H3,(H2,9,13,14)

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Names and synonyms

1 names

5-(Aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

Work with Ethyl 3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylate

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

Methyl 5-(aminosulfonyl)-3-chloro-1-methyl-1H-pyrazole-4-carboxylate100784-27-872 % similar Ethyl 2-(aminosulfonyl)benzoate59777-72-942 % similar Ethyl 2-methoxy-5-sulfonamidobenzoate33045-53-340 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-837 % similar Ethyl 2,3,4,5,6-pentafluorobenzoate4522-93-435 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-435 % similar Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-135 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-334 % similar

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

Elsewhere

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