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85673-88-7 | 1,5-Diphenyl-2-(3-(4-(2-pyridyl)piperazin-1-yl)propyl)pyrazolin-3-one, trihydrochloride
CAS No: 85673-88-7 Catalog No: AG00GPZB MDL No:
Product Description
Catalog Number:
AG00GPZB
Chemical Name:
1,5-Diphenyl-2-(3-(4-(2-pyridyl)piperazin-1-yl)propyl)pyrazolin-3-one, trihydrochloride
CAS Number:
85673-88-7
IUPAC Name:
1,5-diphenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one;trihydrochloride
InChI:
InChI=1S/C27H29N5O.3ClH/c33-27-22-25(23-10-3-1-4-11-23)32(24-12-5-2-6-13-24)31(27)17-9-16-29-18-20-30(21-19-29)26-14-7-8-15-28-26;;;/h1-8,10-15,22H,9,16-21H2;3*1H
InChI Key:
HVSHAQKRKNHQFT-UHFFFAOYSA-N
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.167g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
548.937g/mol
Monoisotopic Mass:
547.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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