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Basic information
- Standard SMILES
Cc1cc([C@@H](CC2CCCC2)C(=O)Nc2ccn(CC(C)(C)O)n2)ccc1S(C)(=O)=O- InChIKey
KAQJFXWIQZEZQR-LJQANCHMSA-N- Molecular formula
- C23H33N3O4S
- Average molar mass
- 447.6 g/mol
- Monoisotopic mass
- 447.21917772
Names & identifiers
- Preferred name
- 3-cyclopentyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-2(R)-(4-methanesulfonyl-3-methyl-phenyl)-propionamide
- IUPAC
- (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methyl-4-methylsulfonylphenyl)propanamide
Names & synonyms
SCHEMBL1857220KAQJFXWIQZEZQR-LJQANCHMSA-N3-cyclopentyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-2(R)-(4-methanesulfonyl-3-methyl-phenyl)-propionamide
Database identifiers
- PubChem CID
- 67188331
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 715
Related reactions
1 records
Compound notes
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