chempirical

tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate

C11H17N3O2CAS 230301-11-8223.28 g/mol

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OONNNH
Carbamate

Properties

Molecular formula
C11H17N3O2
Molar mass
223.28 g/mol
Exact mass
223.1321 Da
logP
1.70Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
230301-11-8
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=NN2
InChIKey
BHYPERDTLBCHAE-UHFFFAOYSA-N
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)

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Names and synonyms

1 names
  • 5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine

Work with tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-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

tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate1280210-79-879 % similar tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-955 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-955 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-055 % similar tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-552 % similar tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate258515-65-052 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate365996-05-051 % similar 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-749 % similar

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

Same formula

tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-2

Elsewhere

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