3-(4-Propoxy-1H-pyrazol-3-yl)-1-azabicyclo[2.2.2]octane

HCID 178458809
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Basic information

Standard SMILES
CCCOc1c[nH]nc1C1CN2CCC1CC2
InChIKey
KAUIMFLPKLGZRL-UHFFFAOYSA-N
Molecular formula
C13H21N3O
Average molar mass
235.33 g/mol
Monoisotopic mass
235.1684623

Names & identifiers

Preferred name
3-(4-Propoxy-1H-pyrazol-3-yl)-1-azabicyclo[2.2.2]octane
IUPAC
3-(4-propoxy-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]octane

Names & synonyms

SCHEMBL2121848KAUIMFLPKLGZRL-UHFFFAOYSA-N3-(4-Propoxy-1H-pyrazol-3-yl)-1-azabicyclo[2.2.2]octane

Database identifiers

PubChem CID
25205713

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
41.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records
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Compound notes

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