3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
431073-03-9- Standard SMILES
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=O)c1- InChIKey
NHVUHDIUOSIOKY-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-(2,5-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde
- English name
- [3-(2,5-Dimethylphenyl)-1-phenylpyrazol-4-yl]formaldehyde
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33
Names & synonyms
431073-03-93-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde3-(2,5-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde3-(2,5-Dimethyl-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehydeDTXSID10355356MFCD03139889SBB076053STK702142AKOS002164921DA-19648NS-04514ST45188599
Show more names
[3-(2,5-Dimethylphenyl)-1-phenylpyrazol-4-yl]formaldehyde1H-Pyrazole-4-carboxaldehyde, 3-(2,5-dimethylphenyl)-1-phenyl-
3-(2,5-dimethylphenyl)-1-phenyl-pyrazole-4-carbaldehyde
Database identifiers
- CAS
431073-03-9- PubChem CID
- 797122
- DTXSID
DTXSID10355356
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 437.8 · 437.8±33.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- -2.94 · -2.94±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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