1-Phenyl-1H-pyrazole-4-carbaldehyde

Name: 1-Phenyl-1H-pyrazole-4-carbaldehyde
Brand: ChemScene
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CAS No. 54605-72-0
Cat. No. CS-W017601
Purity≥98%
MDL No.MFCD02179568

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Phenyl-1H-pyrazole-4-carbaldehyde|CS-W017601

Structure of 54605-72-0

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Description

1-Phenyl-1H-pyrazole-4-carbaldehyde features a conjugated pyrazole core with an aldehyde group at the 4-position, enabling direct integration into heterocyclic syntheses. The phenyl ring enhances π-stacking potential, while the aldehyde moiety facilitates nucleophilic addition and imine formation under mild conditions. This compound serves as a key building block for bioactive molecules and functional materials, offering high reactivity and structural rigidity in diverse transformation pathways.

Application

1-Phenyl-1H-pyrazole-4-carbaldehyde serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its aldehyde functionality enables efficient imine formation, reductive amination, and coupling reactions with nucleophiles such as hydrazines and amines. The pyrazole core provides structural rigidity and favorable pharmacophore characteristics, while the phenyl substituent enhances π-stacking potential. Bench-stable and compatible with standard purification methods, it facilitates rapid access to diverse pyrazole-based scaffolds relevant to API development.

General Information

CAS No. 54605-72-0
Cat. No. CS-W017601
Purity ≥98%
MDL No. MFCD02179568
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈N₂O
Molecular Weight None
Synonym(s) 1-Phenyl-1H-pyrazol-4-carbaldehyd
SMILES O=CC1=CN(C2=CC=CC=C2)N=C1

Computational Chemistry Data

TPSA 34.89
LogP 1.6848
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Phenyl-1H-pyrazole-4-carbaldehyde

CAS No. 54605-72-0

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