Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

866837-96-9

Molecular Formula

C12H13N3O2

Molecular Weight

231.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

413°C at 760 mmHg

SMILES

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O=C(C1=NN(C2=CC=CC=C2)C(N)=C1)OCC

InChI

InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3

InChIKey

SRDSLLHGDLOTGF-UHFFFAOYSA-N

LogP

1.6312

Topological Polar Surface Area

70.14 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

267

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
5-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
ETHYL 5-AMINO-1-PHENYL-1HPYRAZOLE-3-CARBOXYLATE
PubChem18410
1H-Pyrazole-3-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
5-Amino-1-phenyl-1H-pyrazole-3-carboxylicacidethylester
HID1133
SRDSLLHGDLOTGF-UHFFFAOYSA-N
BCP04507
VP20150
S916
ST2

MDL Number

MFCD07388406

Customs Code

2933199090

FAQ

What is Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (CAS: 866837-96-9)?

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (CAS: 866837-96-9) is an organic compound with a molecular structure that includes a pyrazole ring, an amino group, and an ethyl ester group. It is used in pharmaceutical and chemical research for its potential medicinal properties.

What are the main uses of Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (CAS: 866837-96-9)?

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (CAS: 866837-96-9) is primarily used in pharmaceutical research for its potential as an anti-inflammatory and analgesic agent. Additionally, it is utilized in chemical synthesis for the preparation of other compounds.

Is Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (CAS: 866837-96-9) safe?

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (CAS: 866837-96-9) is generally considered safe when handled with proper precautions. However, it should be used in a well-ventilated area to avoid inhalation and contact with skin or eyes. Protective gloves and goggles are recommended.

How should Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (CAS: 866837-96-9) be stored?

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (CAS: 866837-96-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Avoid storing it near incompatible substances such as strong acids or oxidizers.