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88439-40-1 | Benzenamine, 4-(4,5-dihydro-1,3-diphenyl-1H-pyrazol-5-yl)-N,N-diethyl-
CAS No: 88439-40-1 Catalog No: AG004JYY MDL No:
Product Description
Catalog Number:
AG004JYY
Chemical Name:
Benzenamine, 4-(4,5-dihydro-1,3-diphenyl-1H-pyrazol-5-yl)-N,N-diethyl-
CAS Number:
88439-40-1
Molecular Formula:
C25H27N3
Molecular Weight:
369.5020
IUPAC Name:
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-diethylaniline
InChI:
InChI=1S/C25H27N3/c1-3-27(4-2)22-17-15-21(16-18-22)25-19-24(20-11-7-5-8-12-20)26-28(25)23-13-9-6-10-14-23/h5-18,25H,3-4,19H2,1-2H3
InChI Key:
QELUGBQUMZJURG-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1)CC
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.22g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.512g/mol
Monoisotopic Mass:
369.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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