3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane

C10H15N3 — CID 57485692

IUPAC3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane
SMILESc1n[nH]cc1C1CC2CNC(C2)C1
InChIInChI=1S/C10H15N3/c1-7-2-10(11-4-7)3-8(1)9-5-12-13-6-9/h5-8,10-11H,1-4H2,(H,12,13)
InChIKeyMUGKXZPKRFGQBS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.27
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane

3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane (PubChem CID 57485692) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane
PubChem CID57485692
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane
SMILESc1n[nH]cc1C1CC2CNC(C2)C1
InChIInChI=1S/C10H15N3/c1-7-2-10(11-4-7)3-8(1)9-5-12-13-6-9/h5-8,10-11H,1-4H2,(H,12,13)
InChIKeyMUGKXZPKRFGQBS-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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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane (CID 57485692) is 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane is c1n[nH]cc1C1CC2CNC(C2)C1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane?
The InChIKey is MUGKXZPKRFGQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-2-10(11-4-7)3-8(1)9-5-12-13-6-9/h5-8,10-11H,1-4H2,(H,12,13).
What are the key properties of 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane?
3-(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 3-(1H-pyrazol-4-yl)-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 57485692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).