3-(4-Isobutylphenyl)-1-O-tolyl-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 3-(4-Isobutylphenyl)-1-O-tolyl-1H-pyrazole-5-carboxylic acid
• CAS No.: 618102-98-0
• Molecular Formula: C21H22N2O2
• Molecular Weight: 334.4
• European Community (EC) Number: 648-784-9
• Mol file: 618102-98-0.mol

Synonyms:618102-98-0;3-(4-ISOBUTYLPHENYL)-1-O-TOLYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;3-(4-Isobutylphenyl)-1-(o-tolyl)-1H-pyrazole-5-carboxylic acid;AKOS024412246;3-(4-ISOBUTYLPHENYL)-1-(2-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

Chemical Property of 3-(4-Isobutylphenyl)-1-O-tolyl-1H-pyrazole-5-carboxylic acid

Chemical Property:

• PKA: 3.25±0.36(Predicted)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 334.168127949
• Heavy Atom Count: 25
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

3-(4-ISOBUTYLPHENYL)-1-ORTHO-TOLYL-1H-PYRAZOLE-5-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=CC(=N2)C3=CC=C(C=C3)CC(C)C)C(=O)O

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