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857531-62-5 | Piperazine, 1-[(4-chlorophenyl)[4-(1H-pyrazol-4-yl)phenyl]methyl]-
CAS No: 857531-62-5 Catalog No: AG004Y9Q MDL No:
Product Description
Catalog Number:
AG004Y9Q
Chemical Name:
Piperazine, 1-[(4-chlorophenyl)[4-(1H-pyrazol-4-yl)phenyl]methyl]-
CAS Number:
857531-62-5
Molecular Formula:
C20H21ClN4
Molecular Weight:
352.8605
IUPAC Name:
1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine
InChI:
InChI=1S/C20H21ClN4/c21-19-7-5-17(6-8-19)20(25-11-9-22-10-12-25)16-3-1-15(2-4-16)18-13-23-24-14-18/h1-8,13-14,20,22H,9-12H2,(H,23,24)
InChI Key:
MGYPCCQLBPTNML-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccc(cc1)c1c[nH]nc1)N1CCNCC1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.145g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.866g/mol
Monoisotopic Mass:
352.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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