3-Methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-4,5-dihydro-1h-pyrazole

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Basic information

CAS: 17471-57-7
Standard SMILES: CC1=NN(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)C1
InChIKey: RIBZRKBTHDVGFL-UHFFFAOYSA-N
Molecular formula: C17H18N2O2S
Average molar mass: 314.4 g/mol
Monoisotopic mass: 314.10889899

Names & identifiers

Preferred name: 3-Methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-4,5-dihydro-1h-pyrazole
IUPAC: 5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole

Names & synonyms

17471-57-73-methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-4,5-dihydro-1h-pyrazoleNSC137965DTXSID003006381H-Pyrazole,4,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-NSC-137965DS-0012843-Methyl-1-(4-methylbenzene-1-sulfonyl)-5-phenyl-4,5-dihydro-1H-pyrazole

Database identifiers

CAS: 17471-57-7
PubChem CID: 283395
DTXSID: DTXSID00300638

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 509

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Compound notes

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