5-(4-Fluorophenyl)-1H-pyrazol-3-amine

Name: 5-(4-Fluorophenyl)-1H-pyrazol-3-amine
Brand: ChemScene
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CAS No. 72411-52-0
Cat. No. CS-W017371
Purity≥95%
MDL No.MFCD01023677

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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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5-(4-Fluorophenyl)-1H-pyrazol-3-amine|CS-W017371

Structure of 72411-52-0

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General Information

CAS No. 72411-52-0
Cat. No. CS-W017371
Purity ≥95%
MDL No. MFCD01023677
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈FN₃
Molecular Weight 177.18
Synonym(s) 5-Amino-3-(4-fluorophenyl)pyrazole
SMILES NC1=NNC(C2=CC=C(F)C=C2)=C1

Description

5-(4-Fluorophenyl)-1H-pyrazol-3-amine integrates a fluorinated aryl moiety with a pyrazole scaffold, delivering enhanced electronic modulation and metabolic stability. This bench-stable compound serves as a key building block in targeted kinase inhibitor development and medicinal chemistry campaigns requiring electron-deficient heterocyclic systems.

Application

5-(4-Fluorophenyl)-1H-pyrazol-3-amine serves as a versatile building block in medicinal chemistry, enabling the construction of pyrazole-based scaffolds through standard coupling and functionalization reactions. Its fluorinated aryl group enhances metabolic stability and modulates electronic properties, while the primary amine facilitates derivatization via acylation, alkylation, or cross-coupling. The compound exhibits good bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis campaigns in drug discovery.

Synthesis

Route1
- 575433-43-1
- ~82%
- In-stock
  
  72411-52-0
References
- Rama Rao; Lingaiah; Ezikiel; Yadla; Shanthan Rao Heterocyclic Communications, 2006 , vol. 12, # 3-4 p. 275 - 280
Route2
- In-stock
  
  4640-67-9
- ~%
- In-stock
  
  72411-52-0
References
- Bioorganic and Medicinal Chemistry Letters, , vol. 19, # 19 p. 5689 - 5692

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 54.7
LogP 1.798
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-(4-Fluorophenyl)-1H-pyrazol-3-amine

CAS No. 72411-52-0

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