chempirical

tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate

C10H15N3O2CAS 1280210-79-8209.25 g/mol

Open in Covalent MOL file
OONNHN
Carbamate

Properties

Molecular formula
C10H15N3O2
Molar mass
209.25 g/mol
Exact mass
209.1164 Da
logP
1.66Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
1280210-79-8
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2
InChIKey
IBUNCTVDGYIKAP-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13/h4H,5-6H2,1-3H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2,6-Dihydro-4H-pyrrolo[3,4-C]pyrazole-5-carboxylic acid tert-butyl ester

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

1,1-Dimethylethyl 2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-C]pyrazole-5(4H)-carboxylate1226781-82-346 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-046 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-944 % similar tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-543 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-443 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-143 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-843 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-041 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook