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86389-37-9 | 1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-1-methyl-3-phenyl-
CAS No: 86389-37-9 Catalog No: AG004R7C MDL No:
Product Description
Catalog Number:
AG004R7C
Chemical Name:
1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-1-methyl-3-phenyl-
CAS Number:
86389-37-9
Molecular Formula:
C17H18N2O
Molecular Weight:
266.3376
IUPAC Name:
3-(4-methoxyphenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C17H18N2O/c1-19-17(14-8-10-15(20-2)11-9-14)12-16(18-19)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3
InChI Key:
RPJQSEGRIZWYFV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CC(=NN1C)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.344g/mol
Monoisotopic Mass:
266.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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