3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane

C14H23N3 — CID 176691923

IUPAC3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(c1ccn(C)n1)C2
InChIInChI=1S/C14H23N3/c1-10(2)17-12-4-5-13(17)9-11(8-12)14-6-7-16(3)15-14/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyWCFYXCADZWSBIM-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.54
Rot. Bonds2

About 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane

3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 176691923) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID176691923
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(c1ccn(C)n1)C2
InChIInChI=1S/C14H23N3/c1-10(2)17-12-4-5-13(17)9-11(8-12)14-6-7-16(3)15-14/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyWCFYXCADZWSBIM-UHFFFAOYSA-N
XLogP2.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 176691923) is 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)N1C2CCC1CC(c1ccn(C)n1)C2.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is WCFYXCADZWSBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10(2)17-12-4-5-13(17)9-11(8-12)14-6-7-16(3)15-14/h6-7,10-13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 233.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176691923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).