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857531-55-6 | 1H-Pyrazole, 4-[4-[3-(1-azetidinyl)-1-(4-chlorophenyl)propyl]phenyl]-
CAS No: 857531-55-6 Catalog No: AG004RZF MDL No:
Product Description
Catalog Number:
AG004RZF
Chemical Name:
1H-Pyrazole, 4-[4-[3-(1-azetidinyl)-1-(4-chlorophenyl)propyl]phenyl]-
CAS Number:
857531-55-6
Molecular Formula:
C21H22ClN3
Molecular Weight:
351.8725
IUPAC Name:
4-[4-[3-(azetidin-1-yl)-1-(4-chlorophenyl)propyl]phenyl]-1H-pyrazole
InChI:
InChI=1S/C21H22ClN3/c22-20-8-6-18(7-9-20)21(10-13-25-11-1-12-25)17-4-2-16(3-5-17)19-14-23-24-15-19/h2-9,14-15,21H,1,10-13H2,(H,23,24)
InChI Key:
PEEKZDAJUZOSLT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccc(cc1)c1c[nH]nc1)CCN1CCC1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.15g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.878g/mol
Monoisotopic Mass:
351.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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