5-Amino-1H-pyrazol-3(2H)-one

Name: 5-Amino-1H-pyrazol-3(2H)-one
Brand: ChemScene
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CAS No. 28491-52-3
Cat. No. CS-W005676
Molecule weight99.09
Purity≥97%
MDL No.MFCD00204482

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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+
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Structure of 28491-52-3

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General Information

CAS No. 28491-52-3
Cat. No. CS-W005676
Purity ≥97%
MDL No. MFCD00204482
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₅N₃O
Molecular Weight 99.09
Synonym(s) 5-Amino-3-hydroxy-1H-pyrazole
SMILES O=C1NNC(N)=C1

Description

5-Amino-1H-pyrazol-3(2H)-one features a fused heterocyclic core with complementary amine and carbonyl functionalities, enabling direct incorporation into bioactive scaffolds. This bench-stable compound serves as a key intermediate in the synthesis of nitrogen-rich pharmaceuticals and agrochemicals, offering high reactivity under standard conditions.

Application

5-Amino-1H-pyrazol-3(2H)-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrazole-based heterocycles through straightforward functionalization at the amino and carbonyl positions. Its stability under standard reaction conditions and compatibility with diverse coupling protocols facilitate efficient access to bioactive scaffolds. The compound functions effectively in both solution-phase and solid-phase syntheses, supporting rapid library generation for target-oriented discovery.

Synthesis

Route1
- 39632-87-6
- ~%
- In-stock
  
  28491-52-3
References
- Graham et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 983,987
Route2
- In-stock
  
  140-87-4
- 124-41-4
- ~%
- In-stock
  
  28491-52-3
References
- Graham et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 983,987
Route3
- In-stock
  
  140-87-4
- ~%
- In-stock
  
  28491-52-3
References
- Hepner; Fajersztejn Bulletin de la Societe Chimique de France, 1937 , vol. <5>4, p. 854,858

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 74.67
LogP -0.7148
H_Acceptors 2
H_Donors 3
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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5-Amino-1H-pyrazol-3(2H)-one

CAS No. 28491-52-3

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