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102689-20-3 | 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(1,2,5-trimethyl-4-piperidinyl)-
CAS No: 102689-20-3 Catalog No: AG00084Q MDL No:
Product Description
Catalog Number:
AG00084Q
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(1,2,5-trimethyl-4-piperidinyl)-
CAS Number:
102689-20-3
Molecular Formula:
C24H29N3O
Molecular Weight:
375.5066
IUPAC Name:
4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
InChI:
InChI=1S/C24H29N3O/c1-17-16-26(3)18(2)14-22(17)27-24(28)21(15-19-10-6-4-7-11-19)23(25-27)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3
InChI Key:
DWQLEFWPQKQLLI-UHFFFAOYSA-N
SMILES:
CC1CN(C)C(CC1N1N=C(C(C1=O)Cc1ccccc1)c1ccccc1)C
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.231g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.516g/mol
Monoisotopic Mass:
375.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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