8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H19N3O — CID 63770467

IUPAC8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCn1cccn1
InChIInChI=1S/C12H19N3O/c16-12-8-10-2-3-11(9-12)15(10)7-6-14-5-1-4-13-14/h1,4-5,10-12,16H,2-3,6-9H2
InChIKeyJDANMEPBNQLJLO-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.87
Rot. Bonds3

About 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770467) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770467
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCn1cccn1
InChIInChI=1S/C12H19N3O/c16-12-8-10-2-3-11(9-12)15(10)7-6-14-5-1-4-13-14/h1,4-5,10-12,16H,2-3,6-9H2
InChIKeyJDANMEPBNQLJLO-UHFFFAOYSA-N
XLogP0.87
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63770467) is 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CCn1cccn1.
What is the InChIKey of 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JDANMEPBNQLJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12-8-10-2-3-11(9-12)15(10)7-6-14-5-1-4-13-14/h1,4-5,10-12,16H,2-3,6-9H2.
What are the key properties of 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 221.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyrazol-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).