1,1-Dimethylethyl 2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-C]pyrazole-5(4H)-carboxylate

C₁₁H₁₇N₃O₄SCAS 1226781-82-3287.33 g/mol

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Properties

Molecular formula: C₁₁H₁₇N₃O₄S
Molar mass: 287.33 g/mol
Exact mass: 287.0940 Da
logP: 0.94Crippen estimate
Polar surface area: 81.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

Identifiers

CAS number

1226781-82-3

SMILES

CC(C)(C)OC(=O)N1Cc2cn(S(C)(=O)=O)nc2C1

InChIKey

SNEHALFDVXIDSZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N3O4S/c1-11(2,3)18-10(15)13-5-8-6-14(19(4,16)17)12-9(8)7-13/h6H,5,7H2,1-4H3

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Names and synonyms

2 names

Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester
2-(Methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid tert-butyl ester

Work with 1,1-Dimethylethyl 2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-C]pyrazole-5(4H)-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

tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate1280210-79-846 % similar tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-538 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-038 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-938 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-437 % similar 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-437 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-437 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-137 % similar

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

Elsewhere

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