3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane

C15H18N4 — CID 141118795

IUPAC3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane
SMILESc1ccc(-c2cnn(C3CN4CCC3CC4)c2)nc1
InChIInChI=1S/C15H18N4/c1-2-6-16-14(3-1)13-9-17-19(10-13)15-11-18-7-4-12(15)5-8-18/h1-3,6,9-10,12,15H,4-5,7-8,11H2
InChIKeyOGXRECKBUYDMAT-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.21
Rot. Bonds2

About 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane

3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 141118795) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane
PubChem CID141118795
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane
SMILESc1ccc(-c2cnn(C3CN4CCC3CC4)c2)nc1
InChIInChI=1S/C15H18N4/c1-2-6-16-14(3-1)13-9-17-19(10-13)15-11-18-7-4-12(15)5-8-18/h1-3,6,9-10,12,15H,4-5,7-8,11H2
InChIKeyOGXRECKBUYDMAT-UHFFFAOYSA-N
XLogP2.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-phenylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 67460046
3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutan-1-one
CID 166993889
[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine
CID 166993892
(4S)-3-(4-ethylpyrazol-1-yl)-1-azabicyclo[2.2.1]heptane
CID 84663558
2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-4-pyridin-2-ylphenol
CID 135908043
3-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 15669971
3-[3-(5-pyridin-3-ylthiophen-2-yl)-1,2,4-triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 11522911
5-phenyl-6-[4-[[4-(4-pyridin-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]phenyl]pyridine-3-carbonitrile
CID 11477491
(3R)-3-[4-(3-phenylmethoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 155530137
2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine
CID 141187555
2-[1-(3-pyridin-2-ylphenyl)pyrazol-4-yl]pyridine
CID 11150679
N-methyl-2-(4-pyridin-2-ylpyrazol-1-yl)ethanamine
CID 121213927

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane (CID 141118795) is 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane is c1ccc(-c2cnn(C3CN4CCC3CC4)c2)nc1.
What is the InChIKey of 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is OGXRECKBUYDMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-6-16-14(3-1)13-9-17-19(10-13)15-11-18-7-4-12(15)5-8-18/h1-3,6,9-10,12,15H,4-5,7-8,11H2.
What are the key properties of 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane?
3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 254.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpyrazol-1-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 141118795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).