Basic information
- Standard SMILES
Cc1ccc(-n2[nH]c(C)c(C=O)c2=O)cc1C- InChIKey
XGMHWNUWJIFQBO-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbaldehyde
Names & synonyms
1-(3,4-dimethylphenyl)-3-methyl-5-oxo-3-pyrazolin-4-carbaldehyde1-(3,4-DIMETHYLPHENYL)-4-(HYDROXYMETHYLIDENE)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE2-(3,4-dimethylphenyl)-4-(hydroxymethylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-oneSCHEMBL1303785SCHEMBL2558964AJFYPLFBIIYJJB-UHFFFAOYSA-NXGMHWNUWJIFQBO-UHFFFAOYSA-NHMS1583K151-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-carbaldehydeMFCD00746748AKOS001720097AKOS015917701
Show more names
AKOS024361467340041-33-0DB-120874DB-353905ST50991763AB00091490-011-(3,4-dimethylphenyl)-4-(hydroxymethylene)-3-methyl-1,2-diazolin-5-one1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-carbaldehyde
Database identifiers
- PubChem CID
- 759126
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 376
Related reactions
2 records
Compound notes
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