5-Amino-3-bromo-1H-pyrazole-4-carbonitrile

Name: 5-Amino-3-bromo-1H-pyrazole-4-carbonitrile
Brand: ChemScene
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CAS No. 1384973-12-9
Cat. No. CS-0158535
Purity≥95%
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-3-bromo-1H-pyrazole-4-carbonitrile|CS-0158535

Structure of 1384973-12-9

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Description

5-Amino-3-bromo-1H-pyrazole-4-carbonitrile features a pyrazole core functionalized with amino, bromo, and nitrile groups at positions 5, 3, and 4 respectively. This electron-deficient heterocycle integrates readily into synthetic sequences requiring halogenation and nitrile-directed transformations. The molecule exhibits bench-stable handling characteristics and serves as a key intermediate in the development of bioactive heterocyclic compounds.

Application

5-Amino-3-bromo-1H-pyrazole-4-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its orthogonal functional groups—amino, bromo, and nitrile—enable sequential transformations via Suzuki-Miyaura coupling, nucleophilic substitution, or amidation. The molecule exhibits good bench stability and facilitates efficient purification, making it well-suited for modular scaffold development in drug discovery campaigns.

General Information

CAS No. 1384973-12-9
Cat. No. CS-0158535
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₃BrN₄
Molecular Weight 187.00
Synonym(s) 3-amino-5-bromo-1H-pyrazole-4-carbonitrile
SMILES N#CC1=C(N)NN=C1Br

Computational Chemistry Data

TPSA 78.49
LogP 0.62608
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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5-Amino-3-bromo-1H-pyrazole-4-carbonitrile

CAS No. 1384973-12-9

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