1-Methyl-1H-pyrazole-3-carboxamide

Name: 1-Methyl-1H-pyrazole-3-carboxamide
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CAS No. 89179-62-4
Cat. No. CS-W007031
Molecule weight125.13
Purity≥98%
MDL No.MFCD00464006

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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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1-Methyl-1H-pyrazole-3-carboxamide|CS-W007031

Structure of 89179-62-4

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General Information

CAS No. 89179-62-4
Cat. No. CS-W007031
Purity ≥98%
MDL No. MFCD00464006
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₇N₃O
Molecular Weight 125.13
Synonym(s) 1-methylpyrazole-3-carboxamide
SMILES CN1C=CC(=N1)C(N)=O

Description

1-Methyl-1H-pyrazole-3-carboxamide features a pyrazole core with a methylated nitrogen and carboxamide group, enabling strong hydrogen bonding and enhanced solubility. This configuration supports its use in medicinal chemistry scaffolds, particularly as a bioisostere for amides or heterocyclic motifs in kinase inhibitor design. The compound demonstrates stability under standard bench conditions and compatibility with diverse synthetic transformations.

Application

1-Methyl-1H-pyrazole-3-carboxamide serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocyclic scaffolds. Its amide functionality offers enhanced stability and solubility, while the pyrazole core provides a rigid, polar framework compatible with diverse coupling reactions. The molecule functions effectively in standard synthetic workflows, facilitating rapid diversification through nucleophilic substitution and transition-metal-catalyzed transformations.

Synthesis

Route1
- In-stock
  
  33064-36-7
- 74-88-4
- ~%
- In-stock
  
  89179-62-4
References
- GLAXO GROUP LIMITED Patent: WO2003/82861 A2, 2003 ; Location in patent: Page/Page column 50 ; WO 03/082861 A2
Route2
- In-stock
  
  17827-61-1
- ~84%
- In-stock
  
  89179-62-4
References
- Castellanos, Maria Luisa; Llinas, Montserrat; Bruix, Marta; Mendoza, Javier de; Martin, M. Rosario Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1209 - 1216

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 60.91
LogP -0.481
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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1-Methyl-1H-pyrazole-3-carboxamide

CAS No. 89179-62-4

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