3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

769132-77-6

Molecular Formula

C9H14N2O2

Molecular Weight

182.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC(C)CC1=NN(C(=C1)C(=O)O)C

InChI

InChI=1S/C9H14N2O2/c1-6(2)4-7-5-8(9(12)13)11(3)10-7/h5-6H,4H2,1-3H3,(H,12,13)

InChIKey

FNZPEHCXMGHUNY-UHFFFAOYSA-N

LogP

1.3168

Topological Polar Surface Area

55.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

194

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid
3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, AldrichCPR
BB 0256532
AKOS000303323
3-ISOBUTYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLICACID
AMY11920
F17241
1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid
3-Isobutyl-1-methylpyrazole-5-carboxylic Acid
2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
DTXSID80390193
Z1198166002
MFCD05670720
SY272382
SCHEMBL2215247
FT-0754517
MS-3690
A865392
5-Isobutyl-2-methyl-2H-pyrazole-3-carboxylic acid
CS-0061034
769132-77-6
EN300-194308
3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid
3-isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)

MDL Number

MFCD05670720

Customs Code

2933199090

FAQ

What is 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 769132-77-6)?

3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 769132-77-6) is an organic compound with the molecular formula C9H13NO2. It is characterized by its aromatic and carboxylic acid functionalities, making it useful in various applications such as pharmaceuticals and research.

What are the main uses of 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 769132-77-6)?

3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 769132-77-6) is primarily used in pharmaceutical research as a precursor for drug development. It is also employed in chemical synthesis and analytical chemistry due to its functional groups.

Is 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 769132-77-6) safe?

3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 769132-77-6) is generally considered safe under normal handling conditions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Avoid contact with eyes, skin, and inhalation.

How should 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 769132-77-6) be stored?

3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 769132-77-6) should be stored in a cool, dry place, away from direct sunlight and heat. It should be kept in a tightly sealed container to prevent moisture absorption. Ensure the storage area is well-ventilated and accessible only to authorized personnel.