Basic information
- CAS
1365968-54-2- Standard SMILES
CC(=O)N1CCC(n2nc(-c3ccccc3)cc2N)CC1- InChIKey
ZNZUXZFXKWIHAR-UHFFFAOYSA-N- Molecular formula
- C16H20N4O
- Average molar mass
- 284.36 g/mol
- Monoisotopic mass
- 284.16371127
Names & identifiers
- Preferred name
- 1-[4-(5-Amino-3-phenyl-1H-pyrazol-1-yl)piperidin-1-yl]ethan-1-one
- IUPAC
- 1-[4-(5-amino-3-phenylpyrazol-1-yl)piperidin-1-yl]ethanone
- English name
- 1-[4-(5-Amino-3-phenyl-1H-pyrazol-1-yl)piperidin-1-yl]ethan-1-one
- Molecular formula
- C16H20N4O
- Molecular weight
- 284.36
Names & synonyms
1365968-54-21-[4-(5-Amino-3-phenyl-1H-pyrazol-1-yl)piperidin-1-yl]ethan-1-one1-(4-(5-Amino-3-phenyl-1H-pyrazol-1-yl)piperidin-1-yl)ethanoneMFCD216021801-[4-(5-amino-3-phenylpyrazol-1-yl)piperidin-1-yl]ethanoneDTXSID401166938AKOS027386532KS-7181F0758591-[4-(5-amino-3-phenyl-pyrazol-1-yl)-1-piperidyl]ethanoneEthanone, 1-[4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-1-piperidinyl]-
Database identifiers
- CAS
1365968-54-2- PubChem CID
- 56965645
- DTXSID
DTXSID401166938
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
Chemistry & industry
Suppliers2 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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