1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone

Base Information

• Chemical Name: 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone
• CAS No.: 1002651-00-4
• Molecular Formula: C8H11N3O3
• Molecular Weight: 197.19
• DSSTox Substance ID: DTXSID60392054
• Mol file: 1002651-00-4.mol

Synonyms:1002651-00-4;1-(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)acetone;1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-one;1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-one;1-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propan-2-one;DTXSID60392054;BBL039957;MFCD03885073;STK349629;AKOS000310347;AKOS015922125;BS-35526;CS-0272155;EN300-229590

Chemical Property of 1-(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetone

Chemical Property:

• PKA: -1.62±0.10(Predicted)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 197.08004122
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

1-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)acetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NN1CC(=O)C)C)[N+](=O)[O-]