1-Phenyl-1H-pyrazol-4-amine

Name: 1-Phenyl-1H-pyrazol-4-amine
Brand: ChemScene
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CAS No. 1128-53-6
Cat. No. CS-0096241
Molecule weight159.19
Purity≥97%
MDL No.None

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 1128-53-6

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General Information

CAS No. 1128-53-6
Cat. No. CS-0096241
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉N₃
Molecular Weight 159.19
Synonym(s) 1H-pyrazol-4-amine, 1-phenyl-
SMILES NC1=CN(C2=CC=CC=C2)N=C1

Description

1-Phenyl-1H-pyrazol-4-amine features a conjugated pyrazole core bearing a phenyl group and a primary amine at the 4-position, enabling direct integration into bioactive scaffolds. This electron-rich heterocycle facilitates hydrogen bonding and π-stacking interactions in medicinal chemistry applications.

Application

1-Phenyl-1H-pyrazol-4-amine serves as a versatile scaffold for medicinal chemistry and heterocyclic synthesis, enabling efficient access to bioactive compounds. Its aniline-like reactivity facilitates electrophilic substitution, coupling reactions, and derivatization under mild conditions. The molecule exhibits good bench stability and functional group tolerance, supporting straightforward purification and integration into multi-step syntheses. It functions as a key building block for pyrazole-based API candidates and ligand development.

Synthesis

Route1
- 3994-48-7
- ~%
- In-stock
  
  1128-53-6
References
- Abbott Laboratories Patent: US2010/317680 A1, 2010 ; US 20100317680 A1
Route2
- 25503-12-2
- ~%
- In-stock
  
  1128-53-6
References
- Huebner; Link Journal of the American Chemical Society, 1950 , vol. 72, p. 4812

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 43.84
LogP 1.4545
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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1-Phenyl-1H-pyrazol-4-amine

CAS No. 1128-53-6

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