4-[5-(4-Fluoro-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid

Base Information

• Chemical Name: 4-[5-(4-Fluoro-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid
• CAS No.: 337482-93-6
• Molecular Formula: C20H18FN2O4-
• Molecular Weight: 369.3669
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00387040
• ChEMBL ID: CHEMBL1562646
• Mol file: 337482-93-6.mol

Synonyms:337482-93-6;4-[5-(4-Fluoro-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid;4-(5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid;4-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid;4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid;CBMicro_039106;ChemDiv1_004867;Oprea1_473490;Oprea1_877332;MLS001204912;CHEMBL1562646;HMS600N05;DTXSID00387040;STK534660;AKOS000301519;AKOS021992593;SMR000516593;BIM-0039282.P001;CS-0327731;EU-0039220;SR-01000443112;SR-01000443112-1;4-(5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoicacid;4-[5-(4-Fluoro-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-4-oxo-buty

Chemical Property of 4-[5-(4-Fluoro-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid

Chemical Property:

• Vapor Pressure: 4.22E-13mmHg at 25°C
• Boiling Point: 553.8°Cat760mmHg
• Flash Point: 288.8°C
• PSA: 79.20000
• Density: g/cm³
• LogP: 2.75030
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 370.13288525
• Heavy Atom Count: 27
• Complexity: 566

Purity/Quality:

98%min ^*data from raw suppliers

4-[5-(4-Fluoro-phenyl)-3-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CCC(=O)O