3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
36640-40-1- Standard SMILES
O=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1- InChIKey
AQESLSBUZSGPEX-UHFFFAOYSA-N- Molecular formula
- C16H11FN2O
- Average molar mass
- 266.27 g/mol
- Monoisotopic mass
- 266.08554114
Names & identifiers
- Preferred name
- 3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-(4-fluorophenyl)-1-phenylpyrazole-4-carbaldehyde
- English name
- 3-(4-Fluoro-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C16H11FN2O
- Molecular weight
- 266.27
Names & synonyms
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde36640-40-13-(4-fluorophenyl)-1-phenylpyrazole-4-carbaldehydeMFCD004968473-(4-Fluoro-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde3-(4-Fluorophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbaldehydeMLS001164445SMR000496666Cambridge id 5628278cid_700989CHEMBL1404267
Show more names
1H-Pyrazole-4-carboxaldehyde, 3-(4-fluorophenyl)-1-phenyl-3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE)
SCHEMBL11250330BDBM69635DTXSID303514711H-Pyrazole-4-carboxaldehyde,3-(4-fluorophenyl)-1-phenyl-HMS2828P19CS-M1034EBC-12192SBB001032
Database identifiers
- CAS
36640-40-1- PubChem CID
- 700989
- DTXSID
DTXSID30351471- ChEMBL
CHEMBL1404267- Nikkaji
- J2.060.485I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Experimental & physicochemical properties
Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 158 · 158~160℃
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
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Related reactions
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Compound notes
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