3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine

C11H8BrN5O — CID 81042713

IUPAC3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)o2)nn1-c1cnccn1
InChIInChI=1S/C11H8BrN5O/c12-9-2-1-8(18-9)7-5-10(13)17(16-7)11-6-14-3-4-15-11/h1-6H,13H2
InChIKeyNAAPXWYSEIKHDR-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.27
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine

3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine (PubChem CID 81042713) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine
PubChem CID81042713
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)o2)nn1-c1cnccn1
InChIInChI=1S/C11H8BrN5O/c12-9-2-1-8(18-9)7-5-10(13)17(16-7)11-6-14-3-4-15-11/h1-6H,13H2
InChIKeyNAAPXWYSEIKHDR-UHFFFAOYSA-N
XLogP2.27
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine (CID 81042713) is 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine is Nc1cc(-c2ccc(Br)o2)nn1-c1cnccn1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine?
The InChIKey is NAAPXWYSEIKHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c12-9-2-1-8(18-9)7-5-10(13)17(16-7)11-6-14-3-4-15-11/h1-6H,13H2.
What are the key properties of 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine?
3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine has a molecular weight of 306.12 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-1-pyrazin-2-ylpyrazol-5-amine is sourced from PubChem (CID 81042713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).