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1245469-24-2 | Piperazine, 1-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-methoxyphenyl)-
CAS No: 1245469-24-2 Catalog No: AG000M5Y MDL No:
Product Description
Catalog Number:
AG000M5Y
Chemical Name:
Piperazine, 1-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-methoxyphenyl)-
CAS Number:
1245469-24-2
Molecular Formula:
C23H28N4O
Molecular Weight:
376.4946
IUPAC Name:
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
InChI:
InChI=1S/C23H28N4O/c1-18-21(19(2)27(24-18)20-9-5-4-6-10-20)17-25-13-15-26(16-14-25)22-11-7-8-12-23(22)28-3/h4-12H,13-17H2,1-3H3
InChI Key:
KYLJPWUYWQONIV-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)Cc1c(C)nn(c1C)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.226g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.504g/mol
Monoisotopic Mass:
376.226g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Smoothened antagonists for hair inhibition. | Bioorganic & medicinal chemistry letters 20100815 |
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