4-bromo-1-quinoxalin-2-ylpyrazol-3-amine

C11H8BrN5 — CID 62359134

IUPAC4-bromo-1-quinoxalin-2-ylpyrazol-3-amine
SMILESNc1nn(-c2cnc3ccccc3n2)cc1Br
InChIInChI=1S/C11H8BrN5/c12-7-6-17(16-11(7)13)10-5-14-8-3-1-2-4-9(8)15-10/h1-6H,(H2,13,16)
InChIKeyNOSOFPZTMZCNIC-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.16
Rot. Bonds1

About 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine

4-bromo-1-quinoxalin-2-ylpyrazol-3-amine (PubChem CID 62359134) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-quinoxalin-2-ylpyrazol-3-amine
PubChem CID62359134
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name4-bromo-1-quinoxalin-2-ylpyrazol-3-amine
SMILESNc1nn(-c2cnc3ccccc3n2)cc1Br
InChIInChI=1S/C11H8BrN5/c12-7-6-17(16-11(7)13)10-5-14-8-3-1-2-4-9(8)15-10/h1-6H,(H2,13,16)
InChIKeyNOSOFPZTMZCNIC-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine?
The IUPAC name of 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine (CID 62359134) is 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine?
The canonical SMILES for 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine is Nc1nn(-c2cnc3ccccc3n2)cc1Br.
What is the InChIKey of 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine?
The InChIKey is NOSOFPZTMZCNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-7-6-17(16-11(7)13)10-5-14-8-3-1-2-4-9(8)15-10/h1-6H,(H2,13,16).
What are the key properties of 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine?
4-bromo-1-quinoxalin-2-ylpyrazol-3-amine has a molecular weight of 290.12 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-quinoxalin-2-ylpyrazol-3-amine is sourced from PubChem (CID 62359134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).