3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone

C14H21N3O2 — CID 171944085

IUPAC3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)C2CC3COCC(C2)N3)cn1
InChIInChI=1S/C14H21N3O2/c1-9(2)17-6-11(5-15-17)14(18)10-3-12-7-19-8-13(4-10)16-12/h5-6,9-10,12-13,16H,3-4,7-8H2,1-2H3
InChIKeyJABKMUSSDJZUCA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.41
Rot. Bonds3

About 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone

3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 171944085) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID171944085
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)C2CC3COCC(C2)N3)cn1
InChIInChI=1S/C14H21N3O2/c1-9(2)17-6-11(5-15-17)14(18)10-3-12-7-19-8-13(4-10)16-12/h5-6,9-10,12-13,16H,3-4,7-8H2,1-2H3
InChIKeyJABKMUSSDJZUCA-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone (CID 171944085) is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)n1cc(C(=O)C2CC3COCC(C2)N3)cn1.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is JABKMUSSDJZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)17-6-11(5-15-17)14(18)10-3-12-7-19-8-13(4-10)16-12/h5-6,9-10,12-13,16H,3-4,7-8H2,1-2H3.
What are the key properties of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone?
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 171944085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).