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16151-06-7 | 1H-Pyrazole, 5-(4-methylphenyl)-1,3-diphenyl-
CAS No: 16151-06-7 Catalog No: AG001VNB MDL No:
Product Description
Catalog Number:
AG001VNB
Chemical Name:
1H-Pyrazole, 5-(4-methylphenyl)-1,3-diphenyl-
CAS Number:
16151-06-7
Molecular Formula:
C22H18N2
Molecular Weight:
310.3917
IUPAC Name:
5-(4-methylphenyl)-1,3-diphenylpyrazole
InChI:
InChI=1S/C22H18N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-16H,1H3
InChI Key:
HBLZCAKQOWHDPU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.4g/mol
Monoisotopic Mass:
310.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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