3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester

C₁₀H₁₆N₄O₂CAS 398491-59-3224.26 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₀H₁₆N₄O₂
Molar mass: 224.26 g/mol
Exact mass: 224.1273 Da
logP: 1.24Crippen estimate
Polar surface area: 84.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

398491-59-3

SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2N

InChIKey

BEVRTOCHMXNPLY-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H3,11,12,13)

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Names and synonyms

1 names

5N-Boc-3-amino-4,6-dihydro-1H-pyrrolo[3,4-C]pyrozole

Work with 3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester

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 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole-5-carboxylate398491-61-759 % similar tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate1280210-79-854 % similar tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate657428-42-754 % similar tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate230301-11-845 % similar tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate903129-71-545 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-942 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-942 % similar 1-Boc-3-(amino)azetidine193269-78-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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