3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-methanol
Basic information
- CAS
36640-55-8- Standard SMILES
OCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1- InChIKey
CZXYTEYPIOIKOG-UHFFFAOYSA-N- Molecular formula
- C16H13BrN2O
- Average molar mass
- 329.19 g/mol
- Monoisotopic mass
- 328.02113
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-methanol
- IUPAC
- [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methanol
- English name
- (3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol
- Molecular formula
- C16H13BrN2O
- Molecular weight
- 329.19
Names & synonyms
36640-55-83-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-methanolRefChem:274397(3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methanol[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methanolMLS000974447SCHEMBL3407292CHEMBL1575729DTXSID301233663HMS2834J11
Show more names
SALOR-INT L446025-1EA1H-Pyrazole-4-methanol, 3-(4-bromophenyl)-1-phenyl-JR-2354, (3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol, 97%
MFCD01909771AKOS001010731SMR000496811EU-0075684ST51237656SR-01000469717SR-01000469717-1Z56787621
Database identifiers
- CAS
36640-55-8- PubChem CID
- 740185
- DTXSID
DTXSID301233663- ChEMBL
CHEMBL1575729
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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