(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
Basic information
- CAS
127117-31-1- Standard SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1ccccc1- InChIKey
KJTRXVXWSSPHRV-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- (5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
- IUPAC
- 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one
Names & synonyms
(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenylmethanoneRefChem:10505794-Benzoyl-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one64598-48-74-benzoyl-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone33064-14-1pyrazole 3Maybridge1_0041904-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-ol4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-oneMLS000850531
Show more names
orb2939739SCHEMBL9288406CHEMBL3144705SCHEMBL12438890BDBM15716HMS553G12KJTRXVXWSSPHRV-UHFFFAOYSA-NDTXSID301321353
Database identifiers
- CAS
127117-31-1、64598-48-7- PubChem CID
- 354929
- DTXSID
DTXSID301321353- ChEMBL
CHEMBL3144705- Nikkaji
- J657.563C、J675.509G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Experimental & physicochemical properties
Solubility32.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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