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1245469-37-7 | Piperazine, 1-(4-methoxyphenyl)-4-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-
CAS No: 1245469-37-7 Catalog No: AG000M5W MDL No:
Product Description
Catalog Number:
AG000M5W
Chemical Name:
Piperazine, 1-(4-methoxyphenyl)-4-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-
CAS Number:
1245469-37-7
Molecular Formula:
C22H26N4O
Molecular Weight:
362.4680
IUPAC Name:
1-(4-methoxyphenyl)-4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
InChI:
InChI=1S/C22H26N4O/c1-18-19(16-23-26(18)21-6-4-3-5-7-21)17-24-12-14-25(15-13-24)20-8-10-22(27-2)11-9-20/h3-11,16H,12-15,17H2,1-2H3
InChI Key:
ZDZDDOQABKBUSC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCN(CC1)Cc1cnn(c1C)c1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.211g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.477g/mol
Monoisotopic Mass:
362.211g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Smoothened antagonists for hair inhibition. | Bioorganic & medicinal chemistry letters 20100815 |
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