3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine

C8H6BrFN4 — CID 67499031

IUPAC3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
SMILESNc1cn(-c2cncc(F)c2)nc1Br
InChIInChI=1S/C8H6BrFN4/c9-8-7(11)4-14(13-8)6-1-5(10)2-12-3-6/h1-4H,11H2
InChIKeyQCRNWFLAANYWHB-UHFFFAOYSA-N
MW257.07 g/mol
LogP1.75
Rot. Bonds1

About 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine

3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine (PubChem CID 67499031) has the molecular formula C8H6BrFN4 and a molecular weight of 257.07 g/mol. Its IUPAC name is 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
PubChem CID67499031
Molecular FormulaC8H6BrFN4
Molecular Weight257.07 g/mol
Exact Mass255.98
IUPAC Name3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
SMILESNc1cn(-c2cncc(F)c2)nc1Br
InChIInChI=1S/C8H6BrFN4/c9-8-7(11)4-14(13-8)6-1-5(10)2-12-3-6/h1-4H,11H2
InChIKeyQCRNWFLAANYWHB-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The IUPAC name of 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine (CID 67499031) is 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine is Nc1cn(-c2cncc(F)c2)nc1Br.
What is the InChIKey of 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The InChIKey is QCRNWFLAANYWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN4/c9-8-7(11)4-14(13-8)6-1-5(10)2-12-3-6/h1-4H,11H2.
What are the key properties of 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine has a molecular weight of 257.07 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 67499031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).