Basic information
- Standard SMILES
O=C(c1cccnc1)N1CCC(c2ccccc2)=N1- InChIKey
MMLDYHKMZSYFBM-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
Names & identifiers
- Preferred name
- 1-Nicotinoyl-3-phenyl-2-pyrazoline
- IUPAC
- (5-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
Names & synonyms
SCHEMBL6779181MMLDYHKMZSYFBM-UHFFFAOYSA-N1-nicotinoyl-3-phenyl-2-pyrazoline
Database identifiers
- PubChem CID
- 9819657
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
4 records
Compound notes
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