1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine

C11H18N4O — CID 66392642

IUPAC1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN2CC3CCC(C2)O3)c1
InChIInChI=1S/C11H18N4O/c12-9-5-13-15(6-9)4-3-14-7-10-1-2-11(8-14)16-10/h5-6,10-11H,1-4,7-8,12H2
InChIKeyBGUKZWVKAVRZCW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.33
Rot. Bonds3

About 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine

1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine (PubChem CID 66392642) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine
PubChem CID66392642
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN2CC3CCC(C2)O3)c1
InChIInChI=1S/C11H18N4O/c12-9-5-13-15(6-9)4-3-14-7-10-1-2-11(8-14)16-10/h5-6,10-11H,1-4,7-8,12H2
InChIKeyBGUKZWVKAVRZCW-UHFFFAOYSA-N
XLogP0.33
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine (CID 66392642) is 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine is Nc1cnn(CCN2CC3CCC(C2)O3)c1.
What is the InChIKey of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine?
The InChIKey is BGUKZWVKAVRZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-5-13-15(6-9)4-3-14-7-10-1-2-11(8-14)16-10/h5-6,10-11H,1-4,7-8,12H2.
What are the key properties of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine?
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine has a molecular weight of 222.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 66392642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).