N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine

C15H19N5 — CID 43737040

IUPACN-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1cnc(-n2cccn2)c(NC2CN3CCC2CC3)c1
InChIInChI=1S/C15H19N5/c1-3-13(15(16-6-1)20-8-2-7-17-20)18-14-11-19-9-4-12(14)5-10-19/h1-3,6-8,12,14,18H,4-5,9-11H2
InChIKeyQWZVRIZKHRIVAB-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.77
Rot. Bonds3

About N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43737040) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43737040
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1cnc(-n2cccn2)c(NC2CN3CCC2CC3)c1
InChIInChI=1S/C15H19N5/c1-3-13(15(16-6-1)20-8-2-7-17-20)18-14-11-19-9-4-12(14)5-10-19/h1-3,6-8,12,14,18H,4-5,9-11H2
InChIKeyQWZVRIZKHRIVAB-UHFFFAOYSA-N
XLogP1.77
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43708005
4-N-(2-pyrazol-1-yl-3-pyridinyl)cyclohexane-1,4-diamine
CID 79731010
N-(4-propan-2-ylcyclohexyl)-2-pyrazol-1-ylpyridin-3-amine
CID 63446201
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine
CID 60927459
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364008
5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol
CID 43743060
2-(cyclopropylamino)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60842702
N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121623
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzene-1,2-diamine
CID 114041152
N-(2-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43684279
N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine
CID 55066564

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43737040) is N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine is c1cnc(-n2cccn2)c(NC2CN3CCC2CC3)c1.
What is the InChIKey of N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is QWZVRIZKHRIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-13(15(16-6-1)20-8-2-7-17-20)18-14-11-19-9-4-12(14)5-10-19/h1-3,6-8,12,14,18H,4-5,9-11H2.
What are the key properties of N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 269.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43737040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).