5Kvn829KX7
Basic information
- CAS
100553-82-0- Standard SMILES
Cc1cc(C)cc(-n2[nH]c(C)cc2=O)c1- InChIKey
XMLXBWLTWKBENI-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 5Kvn829KX7
- IUPAC
- 2-(3,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-one
Names & synonyms
5KVN829KX7SCHEMBL14966715AKOS0153637371-(3,5-Dimethylphenyl)-3-methyl-1H-pyrazol-5-ol1H-Pyrazol-5-ol, 1-(3,5-dimethylphenyl)-3-methyl-2-(3,5-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one2-(3,5-dimethylphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 2-(3,5-dimethylphenyl)-2,4-dihydro-5-methyl-100553-82-0
Database identifiers
- CAS
100553-82-0- PubChem CID
- 66021486
- UNII
- 5KVN829KX7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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