2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane

C10H15N3 — CID 57485691

IUPAC2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane
SMILESc1n[nH]cc1C1CCC2CC1CN2
InChIInChI=1S/C10H15N3/c1-2-10(8-5-12-13-6-8)7-3-9(1)11-4-7/h5-7,9-11H,1-4H2,(H,12,13)
InChIKeyCALIWEUTKAYLFU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.27
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane

2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane (PubChem CID 57485691) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane
PubChem CID57485691
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane
SMILESc1n[nH]cc1C1CCC2CC1CN2
InChIInChI=1S/C10H15N3/c1-2-10(8-5-12-13-6-8)7-3-9(1)11-4-7/h5-7,9-11H,1-4H2,(H,12,13)
InChIKeyCALIWEUTKAYLFU-UHFFFAOYSA-N
XLogP1.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane
CID 57485692
5-methyl-2-(1H-pyrazol-4-yl)piperidine
CID 172766986
4-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 96637487
3-methyl-2-(1H-pyrazol-4-yl)morpholine
CID 139343551
(1S,4S,5S)-5-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 10058912
4-(oxolan-3-yl)-1H-pyrazole
CID 126851922
5-(4-tert-butylphenyl)-2-azabicyclo[2.2.2]octane
CID 171466221
(5S)-2-azabicyclo[2.2.2]octan-5-amine
CID 146429192
3-dimethylphosphoryl-5-(1H-pyrazol-4-yl)piperidine;hydrochloride
CID 155755190
N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide
CID 167790207
3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde
CID 91576936
3-phenyl-2-azabicyclo[2.2.1]heptane
CID 84766510

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane?
The IUPAC name of 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane (CID 57485691) is 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane is c1n[nH]cc1C1CCC2CC1CN2.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane?
The InChIKey is CALIWEUTKAYLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-10(8-5-12-13-6-8)7-3-9(1)11-4-7/h5-7,9-11H,1-4H2,(H,12,13).
What are the key properties of 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane?
2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane has a molecular weight of 177.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 57485691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).