3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde

C13H8BrN3O2 — CID 113437642

IUPAC3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccn2)nc1-c1ccc(Br)o1
InChIInChI=1S/C13H8BrN3O2/c14-11-5-4-10(19-11)13-9(8-18)7-17(16-13)12-3-1-2-6-15-12/h1-8H
InChIKeyBRWVILMAQOLOIM-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.10
Rot. Bonds3

About 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde

3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde (PubChem CID 113437642) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
PubChem CID113437642
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccn2)nc1-c1ccc(Br)o1
InChIInChI=1S/C13H8BrN3O2/c14-11-5-4-10(19-11)13-9(8-18)7-17(16-13)12-3-1-2-6-15-12/h1-8H
InChIKeyBRWVILMAQOLOIM-UHFFFAOYSA-N
XLogP3.10
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 81041731
3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 114798072
3-(3,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63750754
3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324089
1-pyridin-2-yl-3-thiophen-3-ylpyrazole-4-carbaldehyde
CID 62090121
3-(5-ethylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 61333576
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 65347544
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde
CID 65347838
3-(5-methylfuran-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43324311
1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 146258509

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde (CID 113437642) is 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccn2)nc1-c1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is BRWVILMAQOLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-11-5-4-10(19-11)13-9(8-18)7-17(16-13)12-3-1-2-6-15-12/h1-8H.
What are the key properties of 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde has a molecular weight of 318.13 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 113437642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).