Basic information
- Standard SMILES
Cc1ccccc1-n1[nH]c(C#N)cc1=O- InChIKey
DETMIEQLPPVZNC-UHFFFAOYSA-N- Molecular formula
- C11H9N3O
- Average molar mass
- 199.21 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-1-(2-methylphenyl)-5-pyrazolone
- IUPAC
- 2-(2-methylphenyl)-3-oxo-1H-pyrazole-5-carbonitrile
Names & synonyms
SCHEMBL10611431DETMIEQLPPVZNC-UHFFFAOYSA-N3-cyano-1-(2-methylphenyl)-5-pyrazolone
Database identifiers
- PubChem CID
- 20152109
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 352
Related reactions
1 records
Compound notes
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