1H-Pyrrole-3-carboxamide

Basic Information

View in Editor

CAS Number

71580-36-4

Molecular Formula

C5H6N2O

Molecular Weight

110.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

151-152.5 ºC

SMILES

View in Editor

C1=CNC=C1C(=O)N

InChI

InChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h1-3,7H,(H2,6,8)

InChIKey

AKWIAIDKXNKXDI-UHFFFAOYSA-N

LogP

0.11360000000000003

Topological Polar Surface Area

58.88 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

103

Synonyms & References

English

AKOS006337768
CS-0371014
Z1167406084
SCHEMBL368170
71580-36-4
DTXSID50597778
EN300-1662466
azole-4-carboxamide
1H-PYRROLE-3-CARBOXAMIDE
A866413
1H-Pyrrole-3-carboxamide(9CI)
SB62316
1H-Pyrrole-3-carboxamide

MDL Number

MFCD17168255

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Pyrrole-3-carboxamide (CAS: 71580-36-4)?

1H-Pyrrole-3-carboxamide (CAS: 71580-36-4) is a white solid with a molecular weight of 131.12 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and dichloromethane. The compound is known for its basicity and can undergo nucleophilic substitution and condensation reactions.

How is 1H-Pyrrole-3-carboxamide (CAS: 71580-36-4) typically synthesized?

1H-Pyrrole-3-carboxamide (CAS: 71580-36-4) can be synthesized by reacting pyrrole-3-carboxylic acid with an amine in the presence of a base. Commonly, triethylamine is used as the base, and the reaction is performed in an organic solvent like dichloromethane or ethyl acetate.

What industries use 1H-Pyrrole-3-carboxamide (CAS: 71580-36-4)?

1H-Pyrrole-3-carboxamide (CAS: 71580-36-4) is used in the pharmaceutical industry for the synthesis of drug intermediates, particularly in the development of anti-inflammatory and antihistaminic drugs. It also finds applications in the polymer industry as a stabilizer and in the semiconductor industry for doping materials.

What precautions should be taken when handling 1H-Pyrrole-3-carboxamide (CAS: 71580-36-4)?

When handling 1H-Pyrrole-3-carboxamide (CAS: 71580-36-4), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. The substance should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials, and the area should be properly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety instructions.