1-Benzyl-4-(1,3-diethyl-5-methyl-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
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Basic information
- Standard SMILES
CCc1nn(CC)c(C)c1C1=CCN(Cc2ccccc2)CC1- InChIKey
AGZPROCJGTZZJF-UHFFFAOYSA-N- Molecular formula
- C20H27N3
- Average molar mass
- 309.4 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl-4-(1,3-diethyl-5-methyl-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
- IUPAC
- 1-benzyl-4-(1,3-diethyl-5-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
Names & synonyms
SCHEMBL6105959AGZPROCJGTZZJF-UHFFFAOYSA-N1-Benzyl-4-(1,3-diethyl-5-methyl-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
Database identifiers
- PubChem CID
- 21912720
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
2 records
Compound notes
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