3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane

C10H13BrFN3 — CID 118227226

IUPAC3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1C2CCC(CC1n1cc(Br)cn1)N2
InChIInChI=1S/C10H13BrFN3/c11-6-4-13-15(5-6)9-3-7-1-2-8(14-7)10(9)12/h4-5,7-10,14H,1-3H2
InChIKeyWOTAEGWDBVZBQG-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.05
Rot. Bonds1

About 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane

3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 118227226) has the molecular formula C10H13BrFN3 and a molecular weight of 274.14 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID118227226
Molecular FormulaC10H13BrFN3
Molecular Weight274.14 g/mol
Exact Mass273.03
IUPAC Name3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1C2CCC(CC1n1cc(Br)cn1)N2
InChIInChI=1S/C10H13BrFN3/c11-6-4-13-15(5-6)9-3-7-1-2-8(14-7)10(9)12/h4-5,7-10,14H,1-3H2
InChIKeyWOTAEGWDBVZBQG-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane (CID 118227226) is 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane is FC1C2CCC(CC1n1cc(Br)cn1)N2.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is WOTAEGWDBVZBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3/c11-6-4-13-15(5-6)9-3-7-1-2-8(14-7)10(9)12/h4-5,7-10,14H,1-3H2.
What are the key properties of 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane?
3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 274.14 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 118227226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).