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

C7H10ClN3O4SCAS 100784-26-7267.68 g/mol

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OONNClSOOH2N
Aryl halideEsterSulfonamide

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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 5-amino-1-methyl-1H-pyrazole-4-carboxylate31037-02-242 % similar Ethyl 2-(aminosulfonyl)benzoate59777-72-942 % similar Ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate86129-63-740 % similar Ethyl 2-methoxy-5-sulfonamidobenzoate33045-53-340 % similar 1,3-Dimethyl-5-ethoxycarbonylpyrazole5744-40-140 % similar Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate5744-51-440 % similar Ethyl 4-chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate583878-42-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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