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10199-68-5 | 1H-Pyrazole, 4-phenyl-
CAS No: 10199-68-5 Catalog No: AG00066T MDL No:MFCD00462204
Product Description
Catalog Number:
AG00066T
Chemical Name:
1H-Pyrazole, 4-phenyl-
CAS Number:
10199-68-5
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD00462204
IUPAC Name:
4-phenyl-1H-pyrazole
InChI:
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)
InChI Key:
GPGKNEKFDGOXPO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1c[nH]nc1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl-idene]cyclo-hexa-none. | Acta crystallographica. Section E, Structure reports online 20110701 |
| Design, synthesis, and insecticidal activities of phthalamides containing a hydrazone substructure. | Journal of agricultural and food chemistry 20100609 |
| 4-Phenyl-9,12,15-trioxa-1,5,6,18-tetra-azatetra-cyclo-[16.6.1.0.0]penta-conta-2,4,19,21,23-pentaen-25-one. | Acta crystallographica. Section E, Structure reports online 20091001 |
| Identification of inhibitors of protein kinase B using fragment-based lead discovery. | Journal of medicinal chemistry 20070517 |
| Synthesis of 5-substituted 2-methylbenzimidazoles with anticancer activity. | Archiv der Pharmazie 20030301 |
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