5-Amino-1H-pyrazole-4-carbonitrile

Name: 5-Amino-1H-pyrazole-4-carbonitrile
Brand: ChemScene
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CAS No. 1204396-41-7
Cat. No. CS-0997300
Purity≥98%
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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5-Amino-1H-pyrazole-4-carbonitrile|CS-0997300

Structure of 1204396-41-7

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General Information

CAS No. 1204396-41-7
Cat. No. CS-0997300
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄N₄
Molecular Weight 108.10
Synonym(s) None
SMILES N#CC1=C(N)NN=C1

Description

5-Amino-1H-pyrazole-4-carbonitrile features a dual functional group architecture: an electron-rich amino moiety paired with a strongly electron-withdrawing nitrile. This complementary arrangement enables participation in diverse coupling reactions and facilitates integration into bioactive heterocycles. The molecule exhibits bench-stable handling characteristics and demonstrates favorable solubility in common organic solvents, supporting its use in synthetic methodology development and medicinal chemistry campaigns.

Application

5-Amino-1H-pyrazole-4-carbonitrile serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds. Its dual functionality—amino and nitrile groups—supports diverse transformations including amidation, cyclization, and metal-catalyzed coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in API development and probe design.

Safety Information

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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 78.49
LogP -0.13642
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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5-Amino-1H-pyrazole-4-carbonitrile

CAS No. 1204396-41-7

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