(3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone

Basic Information

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CAS Number

96219-87-3

Molecular Formula

C8H7N3OS

Molecular Weight

193.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

515.0±40.0°C at 760 mmHg

SMILES

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C1=CSC(=C1)C(=O)C2=C(NN=C2)N

InChI

InChI=1S/C8H7N3OS/c9-8-5(4-10-11-8)7(12)6-2-1-3-13-6/h1-4H,(H3,9,10,11)

InChIKey

DKSHGSCMEXOBRE-UHFFFAOYSA-N

LogP

1.2843999999999998

Topological Polar Surface Area

71.77 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

212

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(3-Aminopyrazol-4-yl)(2-thienyl)methanone
(3-Amino-1H-pyrazol-4-yl)(thiophen-2-yl)methanone
(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
Methanone, (3-amino-1H-pyrazol-4-yl)-2-thienyl-
4-(thiophene-2-carbonyl)-1H-pyrazol-5-amine
(5-Amino-1H-pyrazol-4-yl)(thiophen-2-yl)methanone
DKSHGSCMEXOBRE-UHFFFAOYSA-N
AX8212645
4-thiophene-2-carbonyl-2H-pyrazol-3-ylamine
(3-Amino-1H-pyrazol-4-yl)-2-thienylmethanone
(3-amino-1H-pyrazol-4-yl)-2-thienyl-methanone
(3-Amino-1H-pyraz
(3-Amino-1H-pyrazol-4-yl)-2-thienylmethanone (ACI)
(3-Amino-1H-pyrazol-4-yl)(2-thienyl)methanone
(3-Amino-1H-pyrazol-4-yl)(thien-2-yl)methanone
(3-Amino-1H-pyrazol-4-yl)thiophen-2-ylmethanone
(5-Amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
(5-amino-1H-pyrazol-4-yl)-thiophene-2-yl-methanone
SCHEMBL523863
(5-amino-1H-pyrazol-4-yl)(thien-2-yl)methanone
(5-amino-1H-pyrazol-4-yl)-thiophen-2-yl-methanone
DTXSID90468397
AKOS014564785
(5-amino-1H-pyrazol-4-yl)(2-thienyl)methanone
MFCD20260223
96219-87-3
4-(THIOPHENE-2-CARBONYL)-1H-PYRAZOL-3-AMINE
(3-AMINOPYRAZOL-4-YL)(2-THIENYL)METHANONE
CS-D0055
AR-527/43461198
DB-344665

MDL Number

MFCD20260223

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone (CAS: 96219-87-3)?

The compound (3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone (CAS: 96219-87-3) is a crystalline solid with a molecular weight of approximately 236.27 g/mol. It has a moderate solubility in water and organic solvents. Chemically, it is reactive towards acids and bases, and it can undergo various reactions such as nucleophilic substitution and condensation. It is stable under normal conditions but should be handled with care to avoid prolonged exposure to moisture and heat.

How is (3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone (CAS: 96219-87-3) typically synthesized?

(3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone (CAS: 96219-87-3) can be synthesized via a multi-step reaction involving the condensation of 2-thiophenecarboxaldehyde and 3-amino-1H-pyrazole. The reaction typically requires the use of a catalyst like sulfuric acid, and the product can be isolated by recrystallization. The yield is generally around 70-75%, and the reaction is selective under the chosen conditions.

What industries use (3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone (CAS: 96219-87-3)?

(3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone (CAS: 96219-87-3) finds applications in pharmaceuticals, where it can be used as a precursor in the synthesis of drugs. It also has potential in the polymer industry, where it can be incorporated into polymers for specific properties. Additionally, it may be used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone (CAS: 96219-87-3)?

When handling (3-Amino-1H-pyrazol-4-YL)(thiophen-2-YL)methanone (CAS: 96219-87-3), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from moisture and heat. In case of a spill, it should be contained and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.