3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde

C15H10BrN3O — CID 155809929

IUPAC3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde
SMILESO=Cn1nc(-c2ccc(Br)cc2)cc1-c1ccccn1
InChIInChI=1S/C15H10BrN3O/c16-12-6-4-11(5-7-12)14-9-15(19(10-20)18-14)13-3-1-2-8-17-13/h1-10H
InChIKeyUWBSSUFSODKLMQ-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.41
Rot. Bonds3

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

3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde (PubChem CID 155809929) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde
PubChem CID155809929
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde
SMILESO=Cn1nc(-c2ccc(Br)cc2)cc1-c1ccccn1
InChIInChI=1S/C15H10BrN3O/c16-12-6-4-11(5-7-12)14-9-15(19(10-20)18-14)13-3-1-2-8-17-13/h1-10H
InChIKeyUWBSSUFSODKLMQ-UHFFFAOYSA-N
XLogP3.41
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-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

4-(4-bromophenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyridine
CID 130238337
1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone
CID 155815941
2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine
CID 151888431
2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 101456405
5-bromo-2-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)pyridine;fluorobenzene
CID 174703064
2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid
CID 138593461
formyl chloride;2-phenylpyridine
CID 175066008
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde?
The IUPAC name of 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde (CID 155809929) is 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde.
What is the SMILES notation for 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde?
The canonical SMILES for 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde is O=Cn1nc(-c2ccc(Br)cc2)cc1-c1ccccn1.
What is the InChIKey of 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde?
The InChIKey is UWBSSUFSODKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-12-6-4-11(5-7-12)14-9-15(19(10-20)18-14)13-3-1-2-8-17-13/h1-10H.
What are the key properties of 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde?
3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde has a molecular weight of 328.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde is sourced from PubChem (CID 155809929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).