1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one

C13H19N3O2 — CID 63763456

IUPAC1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H19N3O2/c17-12-8-10-2-3-11(9-12)16(10)13(18)4-7-15-6-1-5-14-15/h1,5-6,10-12,17H,2-4,7-9H2
InChIKeyLLFBTGTYCRCXFE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds3

About 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 63763456) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID63763456
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H19N3O2/c17-12-8-10-2-3-11(9-12)16(10)13(18)4-7-15-6-1-5-14-15/h1,5-6,10-12,17H,2-4,7-9H2
InChIKeyLLFBTGTYCRCXFE-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 63763771
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 66052384
N-(2-aminocyclopropyl)-3-pyrazol-1-ylpropanamide
CID 43593652
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120658799
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 112630745
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
CID 28789916
3-(4-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769674
2-(3-amino-1,2,4-triazol-1-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763044

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one (CID 63763456) is 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1C2CCC1CC(O)C2.
What is the InChIKey of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is LLFBTGTYCRCXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-8-10-2-3-11(9-12)16(10)13(18)4-7-15-6-1-5-14-15/h1,5-6,10-12,17H,2-4,7-9H2.
What are the key properties of 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one?
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 63763456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).