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10179-54-1 | Benzenamine, 4-(4,5-dihydro-1,3-diphenyl-1H-pyrazol-5-yl)-
CAS No: 10179-54-1 Catalog No: AG0005L0 MDL No:
Product Description
Catalog Number:
AG0005L0
Chemical Name:
Benzenamine, 4-(4,5-dihydro-1,3-diphenyl-1H-pyrazol-5-yl)-
CAS Number:
10179-54-1
Molecular Formula:
C21H19N3
Molecular Weight:
313.3957
IUPAC Name:
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)aniline
InChI:
InChI=1S/C21H19N3/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15,22H2
InChI Key:
SWHRYIZTJYRFBZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.404g/mol
Monoisotopic Mass:
313.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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