5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)isoxazole

Base Information

• Chemical Name: 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)isoxazole
• CAS No.: 265125-69-7
• Molecular Formula: C13H11 N3 O
• Molecular Weight: 225.25
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40372571
• Wikidata: Q82160356
• ChEMBL ID: CHEMBL1369390
• Mol file: 265125-69-7.mol

Synonyms:5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)isoxazole;265125-69-7;5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)-1,2-oxazole;Maybridge1_008777;MLS000834033;SCHEMBL4721078;CHEMBL1369390;HMS566G21;DTXSID40372571;HMS2793N17;MFCD01765387;AS-9743;SMR000461552;FT-0768983;A818486

Chemical Property of 5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)isoxazole

Chemical Property:

• Vapor Pressure: 3.3E-06mmHg at 25°C
• Refractive Index: 1.603
• Boiling Point: 398.8°Cat760mmHg
• PKA: 11.82±0.10(Predicted)
• Flash Point: 197.3°C
• PSA: 54.71000
• Density: 1.225g/cm³
• LogP: 3.04010
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 225.090211983
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-3-phenyl-4-(1H-pyrazol-5-yl)isoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=NN3