5-Amino-1H-pyrazole-3-acetic acid

Name: 5-Amino-1H-pyrazole-3-acetic acid
Brand: ChemScene
Availability: InStock
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CAS No. 174891-10-2
Cat. No. CS-W019139
Purity≥95%
MDL No.MFCD09991896

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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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5-Amino-1H-pyrazole-3-acetic acid|CS-W019139

Structure of 174891-10-2

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General Information

CAS No. 174891-10-2
Cat. No. CS-W019139
Purity ≥95%
MDL No. MFCD09991896
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₇N₃O₂
Molecular Weight 141.13
Synonym(s) 1H-Pyrazole-5-acetic acid, 3-amino-
SMILES O=C(O)CC1=NNC(N)=C1

Description

5-Amino-1H-pyrazole-3-acetic acid features a pyrazole core functionalized with an amino group at C5 and a carboxylic acid at C3, enabling dual reactivity for conjugation and metal chelation. This scaffold integrates readily into bioconjugates and medicinal chemistry libraries due to its solubility and stability under standard conditions.

Application

5-Amino-1H-pyrazole-3-acetic acid serves as a versatile building block for the synthesis of heterocyclic scaffolds and bioactive molecules. Its amino and carboxylic acid functionalities enable straightforward derivatization via amidation, esterification, or coupling reactions. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for medicinal chemistry campaigns and process development in API synthesis.

Synthesis

Route1
- 54711-21-6
- ~98%
- In-stock
  
  174891-10-2
References
- ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/58781 A1, 2004 ; Location in patent: Page 41 ; WO 2004/058781 A1

Safety Information

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Computational Chemistry Data

TPSA 92
LogP -0.381
H_Acceptors 3
H_Donors 3
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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5-Amino-1H-pyrazole-3-acetic acid

CAS No. 174891-10-2

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