3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane

C23H24FN3O — CID 67458744

IUPAC3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESFc1cccc(-c2cn(C3CN4CCC3CC4)nc2OCc2ccccc2)c1
InChIInChI=1S/C23H24FN3O/c24-20-8-4-7-19(13-20)21-14-27(22-15-26-11-9-18(22)10-12-26)25-23(21)28-16-17-5-2-1-3-6-17/h1-8,13-14,18,22H,9-12,15-16H2
InChIKeyDFUOSHIBQGREPL-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.53
Rot. Bonds5

About 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane

3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane (PubChem CID 67458744) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane
PubChem CID67458744
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane
SMILESFc1cccc(-c2cn(C3CN4CCC3CC4)nc2OCc2ccccc2)c1
InChIInChI=1S/C23H24FN3O/c24-20-8-4-7-19(13-20)21-14-27(22-15-26-11-9-18(22)10-12-26)25-23(21)28-16-17-5-2-1-3-6-17/h1-8,13-14,18,22H,9-12,15-16H2
InChIKeyDFUOSHIBQGREPL-UHFFFAOYSA-N
XLogP4.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane (CID 67458744) is 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane is Fc1cccc(-c2cn(C3CN4CCC3CC4)nc2OCc2ccccc2)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane?
The InChIKey is DFUOSHIBQGREPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-20-8-4-7-19(13-20)21-14-27(22-15-26-11-9-18(22)10-12-26)25-23(21)28-16-17-5-2-1-3-6-17/h1-8,13-14,18,22H,9-12,15-16H2.
What are the key properties of 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane?
3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane has a molecular weight of 377.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 67458744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).