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

C₁₀H₁₅N₃O₂CAS 657428-42-7209.25 g/mol

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Properties

Molecular formula: C₁₀H₁₅N₃O₂
Molar mass: 209.25 g/mol
Exact mass: 209.1164 Da
logP: 1.66Crippen estimate
Polar surface area: 58.2 Å²
H-bond donors / acceptors: 1 / 3
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

657428-42-7

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)

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Names and synonyms

1 names

Pyrrolo[3,4-C]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate1280210-79-8

Similar compounds

tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate230301-11-879 % similar 3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester398491-59-354 % similar N-Boc-5-bromoisoindoline201940-08-150 % similar tert-Butyl 2-(Methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate1226781-82-346 % similar tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-946 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-946 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-046 % similar tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate903129-71-544 % similar

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

Elsewhere

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