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10180-07-1 | 1H-Pyrazole, 4,5-dihydro-3,5-bis(4-methoxyphenyl)-1-phenyl-
CAS No: 10180-07-1 Catalog No: AG0005MH MDL No:
Product Description
Catalog Number:
AG0005MH
Chemical Name:
1H-Pyrazole, 4,5-dihydro-3,5-bis(4-methoxyphenyl)-1-phenyl-
CAS Number:
10180-07-1
Molecular Formula:
C23H22N2O2
Molecular Weight:
358.4330
IUPAC Name:
3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C23H22N2O2/c1-26-20-12-8-17(9-13-20)22-16-23(18-10-14-21(27-2)15-11-18)25(24-22)19-6-4-3-5-7-19/h3-15,23H,16H2,1-2H3
InChI Key:
GMHBQKAVVHKCSS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.168g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.441g/mol
Monoisotopic Mass:
358.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| 3,5-Bis(4-meth-oxy-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole. | Acta crystallographica. Section E, Structure reports online 20110201 |
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