(E)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

Base Information

• Chemical Name: (E)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
• CAS No.: 956243-74-6
• Molecular Formula: C17H21N3O2
• Molecular Weight: 299.37
• DSSTox Substance ID: DTXSID201321693
• ChEMBL ID: CHEMBL1451444
• Mol file: 956243-74-6.mol

Synonyms:956243-74-6;(E)-3-(dimethylamino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-methoxyphenyl)-2-propen-1-one;(E)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one;(2E)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one;MLS000720594;CHEMBL1451444;DTXSID201321693;HMS2727C24;AKOS005102623;SMR000336349;8T-0828

Chemical Property of (E)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 299.16337692
• Heavy Atom Count: 22
• Complexity: 414

Purity/Quality:

(E)-3-(DIMETHYLAMINO)-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-(4-METHOXYPHENYL)-2-PROPEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NN1C(=CN(C)C)C(=O)C2=CC=C(C=C2)OC)C
• Isomeric SMILES: CC1=CC(=NN1/C(=C/N(C)C)/C(=O)C2=CC=C(C=C2)OC)C