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857531-54-5 | 1H-Pyrazole, 4-[4-[1-(4-chlorophenyl)-3-(1-pyrrolidinyl)propyl]phenyl]-
CAS No: 857531-54-5 Catalog No: AG004OVT MDL No:
Product Description
Catalog Number:
AG004OVT
Chemical Name:
1H-Pyrazole, 4-[4-[1-(4-chlorophenyl)-3-(1-pyrrolidinyl)propyl]phenyl]-
CAS Number:
857531-54-5
Molecular Formula:
C22H24ClN3
Molecular Weight:
365.8991
IUPAC Name:
4-[4-[1-(4-chlorophenyl)-3-pyrrolidin-1-ylpropyl]phenyl]-1H-pyrazole
InChI:
InChI=1S/C22H24ClN3/c23-21-9-7-19(8-10-21)22(11-14-26-12-1-2-13-26)18-5-3-17(4-6-18)20-15-24-25-16-20/h3-10,15-16,22H,1-2,11-14H2,(H,24,25)
InChI Key:
JJMWTFLOALEUFK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccc(cc1)c1c[nH]nc1)CCN1CCCC1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.166g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.905g/mol
Monoisotopic Mass:
365.166g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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