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16619-60-6 | 1H-Pyrazole, 4,5-dihydro-3,5-diphenyl-
CAS No: 16619-60-6 Catalog No: AG001WK6 MDL No:MFCD01047294
Product Description
Catalog Number:
AG001WK6
Chemical Name:
1H-Pyrazole, 4,5-dihydro-3,5-diphenyl-
CAS Number:
16619-60-6
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
MDL Number:
MFCD01047294
IUPAC Name:
3,5-diphenyl-4,5-dihydro-1H-pyrazole
InChI:
InChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChI Key:
VJFQJTFADLQQNS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NN=C(C1)c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors. | Bioorganic & medicinal chemistry 20110315 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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