3-Pyrazolin-5-one, 3-benzyl-1-(1-methyl-4-piperidyl)-4-phenyl-
Basic information
- CAS
7460-01-7- Standard SMILES
CN1CCC(n2[nH]c(Cc3ccccc3)c(-c3ccccc3)c2=O)CC1- InChIKey
POYLGFKPIWIVDB-UHFFFAOYSA-N- Molecular formula
- C22H25N3O
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.19976243
Names & identifiers
- Preferred name
- 3-Pyrazolin-5-one, 3-benzyl-1-(1-methyl-4-piperidyl)-4-phenyl-
- IUPAC
- 5-benzyl-2-(1-methylpiperidin-4-yl)-4-phenyl-1H-pyrazol-3-one
Names & synonyms
3-Pyrazolin-5-one, 3-benzyl-1-(1-methyl-4-piperidyl)-4-phenyl-7460-01-7DTXSID902255683-Benzyl-1-(1-methyl-4-piperidyl)-4-phenyl-3-pyrazolin-5-one1,2-Dihydro-2-(1-methyl-4-piperidinyl)-4-phenyl-5-(phenylmethyl)-3H-pyrazol-3-one3H-Pyrazol-3-one, 1,2-dihydro-2-(1-methyl-4-piperidinyl)-4-phenyl-5-(phenylmethyl)-5-benzyl-2-(1-methylpiperidin-4-yl)-4-phenyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
7460-01-7- PubChem CID
- 24039
- DTXSID
DTXSID90225568
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
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Compound notes
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