chempirical

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

C12H15N3O2CAS 129488-10-4233.27 g/mol

Open in Covalent MOL file
OONNNH2
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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

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

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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-4-bromopyrazole1150271-23-039 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-938 % similar 1-Methyl-1H-indazol-6-amine74728-65-738 % similar 1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate41864-24-837 % similar 1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate352359-23-037 % similar tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-536 % similar 1-(1,1-Dimethylethyl) 2-borono-5-cyano-1H-indole-1-carboxylate475102-15-935 % similar

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

Same formula

N-[3-[(2-Cyanoethyl)amino]-4-methoxyphenyl]acetamide26408-28-6 2-Oxo-4-phenylpyrrolidine-1-acetic acid hydrazide77472-71-0 5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one95885-13-5

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