1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid

Name: 1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1014631-89-0
Cat. No. CS-0052801
Molecule weight189.17
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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1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid|CS-0052801

Structure of 1014631-89-0

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General Information

CAS No. 1014631-89-0
Cat. No. CS-0052801
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇N₃O₂
Molecular Weight 189.17
Synonym(s) None
SMILES OC(=O)C1=CN(N=C1)C1=CN=CC=C1

Description

1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid features a conjugated heteroaryl scaffold integrating pyridine and pyrazole moieties, enabling strong π-stacking and hydrogen bonding interactions. The carboxylic acid group provides a handle for derivatization, while the electron-deficient pyridine ring enhances solubility in polar solvents and supports metal coordination. This compound serves as a key building block in medicinal chemistry campaigns targeting kinase inhibitors and GPCR modulators.

Application

1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. Its structure combines a pyridyl moiety with a functionalized pyrazole carboxylic acid, enabling direct coupling reactions via amide or ester formation. The compound exhibits bench stability, moderate solubility in common organic solvents, and tolerates diverse reaction conditions, facilitating integration into multi-step syntheses of bioactive molecules and functional polymers.

Synthesis

Route1
- 77556-48-0
- ~74%
- In-stock
  
  1014631-89-0
References
- Bayer CropScience AG Patent: US2011/118290 A1, 2011 ; Location in patent: Page/Page column 14 ;
Route2
- In-stock
  
  626-55-1
- ~%
- In-stock
  
  1014631-89-0
References
- Bayer CropScience AG Patent: US2012/95023 A1, 2012 ;

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 68.01
LogP 0.9655
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid

CAS No. 1014631-89-0

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