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17471-57-7 | 1H-Pyrazole, 4,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-
CAS No: 17471-57-7 Catalog No: AG001ZW3 MDL No:
Product Description
Catalog Number:
AG001ZW3
Chemical Name:
1H-Pyrazole, 4,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-
CAS Number:
17471-57-7
Molecular Formula:
C17H18N2O2S
Molecular Weight:
314.4020
IUPAC Name:
5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C17H18N2O2S/c1-13-8-10-16(11-9-13)22(20,21)19-17(12-14(2)18-19)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChI Key:
RIBZRKBTHDVGFL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1)C
NSC Number:
137965
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.403g/mol
Monoisotopic Mass:
314.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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