tert-Butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole-5-carboxylate

C₁₂H₂₀N₄O₂CAS 398491-61-7252.32 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₂H₂₀N₄O₂
Molar mass: 252.32 g/mol
Exact mass: 252.1586 Da
logP: 1.98Crippen estimate
Polar surface area: 84.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

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

Identifiers

CAS number

398491-61-7

SMILES

CC1(C2=C(CN1C(=O)OC(C)(C)C)C(=NN2)N)C

InChIKey

XOQXOJPUZGHMLL-UHFFFAOYSA-N

InChI

InChI=1S/C12H20N4O2/c1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13/h6H2,1-5H3,(H3,13,14,15)

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Names and synonyms

1 names

tert-Butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-C]pyrazole-5(1H)-carboxylate

Work with tert-Butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole-5-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

1-Boc-1-methylhydrazine21075-83-234 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-934 % similar 1-N-Boc-3-hydroxyazetidine141699-55-034 % similar 1-Boc-4-methylenepiperidine159635-49-134 % similar 1-Boc-3-(amino)azetidine193269-78-234 % similar 1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine324769-06-434 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-833 % similar 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-633 % similar

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

Same formula

4,4'-Azobis(4-cyano-1-pentanol)4693-47-4 Hexazinone51235-04-2

Elsewhere

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