Basic information
- Standard SMILES
CCCCn1nc(C#N)c(-c2ccccc2N)c1C- InChIKey
NTYQIYHDGVCWDU-UHFFFAOYSA-N- Molecular formula
- C15H18N4
- Average molar mass
- 254.33 g/mol
Names & identifiers
- Preferred name
- 4-(2-aminophenyl)-1-butyl-5-methyl-1H-pyrazole-3-carbonitrile
- IUPAC
- 4-(2-aminophenyl)-1-butyl-5-methylpyrazole-3-carbonitrile
Names & synonyms
SCHEMBL1234246NTYQIYHDGVCWDU-UHFFFAOYSA-N4-(2-aminophenyl)-1-butyl-5-methyl-1H-pyrazole-3-carbonitrile
Database identifiers
- PubChem CID
- 66958975
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
4 records
Compound notes
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