1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
Basic information
- CAS
1094742-58-1- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc1- InChIKey
IKKCYRJQWCTODP-UHFFFAOYSA-N- Molecular formula
- C21H22N4O3S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.14126175
Names & identifiers
- Preferred name
- 1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
- IUPAC
- [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
Names & synonyms
TCMDC-124401MMV0197421-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine1094742-58-1CHEMBL524742DTXSID501347773HMS3441N19AKOS001829834EBC-145248PD061543SR-05000022567SR-05000022567-1
Show more names
Z116814534(5-phenyl-1h-pyrazol-3-yl)-[4-(p-tolylsulfonyl) piperazin-1-yl]-methanone1-[(4-methylphenyl)sulfonyl]-4-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperazine
Database identifiers
- CAS
1094742-58-1- PubChem CID
- 8889263
- DTXSID
DTXSID501347773- ChEMBL
CHEMBL524742
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 658
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Compound notes
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