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127958-24-1 | 1H-Pyrazole, 4,5-dihydro-4,4-dimethyl-3,5,5-triphenyl-
CAS No: 127958-24-1 Catalog No: AG000XM0 MDL No:
Product Description
Catalog Number:
AG000XM0
Chemical Name:
1H-Pyrazole, 4,5-dihydro-4,4-dimethyl-3,5,5-triphenyl-
CAS Number:
127958-24-1
Molecular Formula:
C23H22N2
Molecular Weight:
326.4342
IUPAC Name:
4,4-dimethyl-3,5,5-triphenyl-1H-pyrazole
InChI:
InChI=1S/C23H22N2/c1-22(2)21(18-12-6-3-7-13-18)24-25-23(22,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,25H,1-2H3
InChI Key:
GSXLPVFIBAHFED-UHFFFAOYSA-N
SMILES:
CC1(C)C(=NNC1(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.443g/mol
Monoisotopic Mass:
326.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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