175137-46-9 | 3-Cyclopropyl-1h-pyrazol-5-amine

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$7.00	$5.00
5g	95%	in stock	$15.00	$11.00
100g	95%	in stock	$300.00	$210.00

Description

• Catalog Number: AA93533
• Chemical Name: 3-Cyclopropyl-1h-pyrazol-5-amine
• CAS Number: 175137-46-9
• Molecular Formula: C6H9N3
• Molecular Weight: 123.1558
• MDL Number: MFCD00067985
• SMILES: Nc1cc([nH]n1)C1CC1

Computed Properties

• Complexity: 111
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 0.4

Upstream Synthesis Route

To synthesize 3-cyclopropyl-1H-pyrazol-5-amine, the following upstream route can be employed:

1. **Synthesis of Hydrazine Derivative**: The synthesis begins with the preparation of a suitable hydrazine derivative. Cyclopropyl hydrazine can be obtained by reacting cyclopropylamine with an appropriate hydrazine salt under acidic or neutral conditions.

2. **Formation of the Pyrazole Ring**: The cyclopropyl hydrazine is then treated with a β-keto ester or β-diketone in the presence of acid or base to induce the formation of the pyrazole ring via a condensation reaction. This results in the preliminary formation of a pyrazolone structure.

3. **Conversion to Pyrazol-5-amine**: The ester or diketone component should possess leaving groups that allow for the subsequent conversion to the pyrazol-5-amine structure. This may involve hydrolysis or amination steps to replace the ester or ketone group with the amino group at the 5-position of the pyrazole ring.

4. **Purification**: The final product, 3-cyclopropyl-1H-pyrazole-5-amine, would be purified using appropriate techniques like recrystallization or chromatography, depending on the by-products and impurities formed during the synthetic process.

Careful control of reaction conditions such as temperature, time, and pH is critical throughout the process to obtain the desired product with high yield and purity.