1,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate

C₁₂H₁₅N₃O₂CAS 129488-10-4233.27 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₂H₁₅N₃O₂
Molar mass: 233.27 g/mol
Exact mass: 233.1164 Da
logP: 2.40Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

129488-10-4

SMILES

CC(C)(C)OC(=O)n1ncc2cc(N)ccc21

InChIKey

LRSDPIIWOZRHNJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,13H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

1H-Indazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
tert-Butyl 5-aminoindazole-1-carboxylate
5-Aminoindazole-1-carboxylic acid tert-butyl ester
tert-Butyl 5-amino-1H-indazole-1-carboxylate
5-Amino-N-(tert-butoxycarbonyl)-1H-indazole
1-Boc-5-amino-1H-Indazole

Work with 1,1-Dimethylethyl 5-amino-1H-indazole-1-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 5-amino-1H-indole-1-carboxylate166104-20-762 % similar 1-Boc-6-aminoindole219508-62-055 % similar 1-Methyl-1H-indazol-5-amine50593-24-347 % similar N-Boc-5-hydroxyindole434958-85-741 % similar tert-Butyl 4-aminobenzoate18144-47-340 % similar tert-Butyl 3-aminobenzoate92146-82-240 % similar N-Boc-5-methoxyindole99275-47-540 % similar 1-Boc-4-bromopyrazole1150271-23-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Boc-6-amino-indazole219503-81-8 N-[3-[(2-Cyanoethyl)amino]-4-methoxyphenyl]acetamide26408-28-6 Phenylpiracetam hydrazide77472-71-0 5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one95885-13-5

Elsewhere

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