Basic information
- Standard SMILES
Cc1ccc(-c2nn(-c3cccc4ccccc34)c(N)c2C(N)=O)cc1- InChIKey
UISRQYBGYZDXBN-UHFFFAOYSA-N- Molecular formula
- C21H18N4O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.14806121
Names & identifiers
- Preferred name
- 5-Amino-1-(1-naphthyl)-3-(4-tolyl)pyrazole-4-carboxamide
- IUPAC
- 5-amino-3-(4-methylphenyl)-1-naphthalen-1-ylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL8358226UISRQYBGYZDXBN-UHFFFAOYSA-N5-Amino-1-(1-naphthyl)-3-(4-tolyl)pyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 54355348
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
1 records
Compound notes
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