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851729-28-7 | 1H-Pyrazole, 3,5-bis(3,4,5-trimethoxyphenyl)-
CAS No: 851729-28-7 Catalog No: AG004WCM MDL No:
Product Description
Catalog Number:
AG004WCM
Chemical Name:
1H-Pyrazole, 3,5-bis(3,4,5-trimethoxyphenyl)-
CAS Number:
851729-28-7
Molecular Formula:
C21H24N2O6
Molecular Weight:
400.4251
IUPAC Name:
3,5-bis(3,4,5-trimethoxyphenyl)-1H-pyrazole
InChI:
InChI=1S/C21H24N2O6/c1-24-16-7-12(8-17(25-2)20(16)28-5)14-11-15(23-22-14)13-9-18(26-3)21(29-6)19(10-13)27-4/h7-11H,1-6H3,(H,22,23)
InChI Key:
BITOSIHBHIWPFY-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1n[nH]c(c1)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.431g/mol
Monoisotopic Mass:
400.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Supramolecular structures and columnar mesophase induction in nondiscoid pyrazoles by complexation to rhodium(I). | Inorganic chemistry 20061211 |
| Synthesis and biological evaluation of chalcones and their derived pyrazoles as potential cytotoxic agents. | Bioorganic & medicinal chemistry letters 20050615 |
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