8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H27N3O — CID 64777691

IUPAC8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(CC)n1ccc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C16H27N3O/c1-3-13(4-2)19-8-7-12(17-19)11-18-14-5-6-15(18)10-16(20)9-14/h7-8,13-16,20H,3-6,9-11H2,1-2H3
InChIKeyCBEPZRMKKMBLTQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds5

About 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 64777691) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID64777691
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(CC)n1ccc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C16H27N3O/c1-3-13(4-2)19-8-7-12(17-19)11-18-14-5-6-15(18)10-16(20)9-14/h7-8,13-16,20H,3-6,9-11H2,1-2H3
InChIKeyCBEPZRMKKMBLTQ-UHFFFAOYSA-N
XLogP2.73
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 64777691) is 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCC(CC)n1ccc(CN2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CBEPZRMKKMBLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-13(4-2)19-8-7-12(17-19)11-18-14-5-6-15(18)10-16(20)9-14/h7-8,13-16,20H,3-6,9-11H2,1-2H3.
What are the key properties of 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 277.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 64777691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).