Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate

Name: Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 637336-53-9
Cat. No. CS-0055089
Molecule weight155.15
Purity≥95%
MDL No.MFCD04969986

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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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Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate|CS-0055089

Structure of 637336-53-9

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General Information

CAS No. 637336-53-9
Cat. No. CS-0055089
Purity ≥95%
MDL No. MFCD04969986
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₉N₃O₂
Molecular Weight 155.15
Synonym(s) Methyl 4-Amino-1-methylpyrazole-3-carboxylate
SMILES O=C(C1=NN(C)C=C1N)OC

Description

Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate features a pyrazole core with complementary amine and ester functionalities, enabling direct incorporation into heterocyclic scaffolds. The molecule exhibits enhanced solubility in polar solvents and stability under standard bench conditions, facilitating efficient derivatization in synthetic and medicinal chemistry workflows.

Application

Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based heterocycles. The molecule's amino and ester functionalities offer orthogonal reactivity for derivatization via amidation, acylation, or electrophilic substitution. Its bench-stable nature and compatibility with standard coupling protocols facilitate straightforward incorporation into complex scaffolds, supporting rapid library synthesis and structure–activity studies.

Synthesis

Route1
- In-stock
  
  400877-57-8
- ~96%
- In-stock
  
  637336-53-9
References
- Dunten, Peter W.; Foley, Louise H.; Huby, Nicholas J.S.; Pietranico-Cole, Sherrie L.; Yun, Weiya Patent: US2004/14766 A1, 2004 ;
Route2
- In-stock
  
  138786-86-4
- ~%
- In-stock
  
  637336-53-9
References
- Bleicher, Konrad; Flohr, Alexander; Groebke Zbinden, Katrin; Gruber, Felix; Koerner, Matthias; Kuhn, Bernd; Peters, Jens-Uwe; Sarmiento, Rosa Maria Rodriguez Patent: US2011/306589 A1, 2011 ;

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

Quality Control

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Computational Chemistry Data

TPSA 70.14
LogP -0.2111
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate

CAS No. 637336-53-9

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