[5-[(4-Chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
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Basic information
- CAS
515174-87-5- Standard SMILES
Cc1nn(Cc2ccc(C(=O)N3CCCCC3)o2)c(C)c1Cl- InChIKey
MDDBTZSMHZRYRM-UHFFFAOYSA-N- Molecular formula
- C16H20ClN3O2
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.1244046
Names & identifiers
- Preferred name
- [5-[(4-Chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
- IUPAC
- [5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
- English name
- 1-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}piperidine
- Molecular formula
- C16H20ClN3O2
- Molecular weight
- 321.8019
Names & synonyms
[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone1-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}piperidine{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}(piperidin-1-yl)methanoneSTL393749AKOS003753013AK-968/40709028515174-87-5
Database identifiers
- CAS
515174-87-5- PubChem CID
- 4224316
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
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Compound notes
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