1-[(3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 1-[(3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
• CAS No.: 1004193-21-8
• Molecular Formula: C13H14N2O3
• Molecular Weight: 246.26
• DSSTox Substance ID: DTXSID101181200
• ChEMBL ID: CHEMBL3445144
• Mol file: 1004193-21-8.mol

Synonyms:1004193-21-8;1-[(3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid;1-((3,5-Dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylic acid;1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic Acid;MFCD04967917;CHEMBL3445144;1-(3,5-dimethylphenoxymethyl)-1H-pyrazole-3-carboxylic acid;DTXSID101181200;BBL038798;STK312569;AKOS000306495;CS-0262767;EN300-83684;1-((3,5-Dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylicacid

Chemical Property of 1-[(3,5-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 246.10044231
• Heavy Atom Count: 18
• Complexity: 288

Purity/Quality:

1-((3,5-Dimethylphenoxy)methyl)-1H-pyrazole-3-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)O)C