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10199-68-5,MFCD00462204
Catalog No.:AA000641
10199-68-5 | 4-Phenyl-1h-pyrazole
Pack Size
Purity
Availability
Price(USD)
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250mg
98%
in stock  
$172.00   $120.00
- +
1g
98%
in stock  
$397.00   $278.00
- +
5g
98%
in stock  
$1,508.00   $1,055.00
- +
10g
98%
in stock  
$2,540.00   $1,778.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000641
Chemical Name:
4-Phenyl-1h-pyrazole
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
Computed 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  

Synonyms
 
4-Phenyl-1H-pyrazole 
10199-68-5 
AC1L3EA5 
SCHEMBL82741 
AC1Q4W05 
JMC514968 Compound 35 
BDBM16215 
CTK0H9678 
DTXSID80144491 
ABLOCK AB-12-2432 
BCP09906 
KS-00000P6I 
4-Phenylpyrazole 
ZINC3164652 
MFCD00462204 
AKOS005198822 
AB06118 
AS06546 
CM10493 
CS-W022231 
MCULE-5589155043 
RP20928 
NCGC00333584-01 
1H-Pyrazole, 4-phenyl- 
AJ-44664 
AK-30224 
BS-13375 
AB0134942 
DB-058747 
4CH-003488 
FT-0646841 
ST24043982 
EN300-07023 
K-0273 
Pyrazole, 4-phenyl- 
AB01329407-02 
J-515933 
Z56940955 
CID139106 
ZINC03164652 
4-(C6H5)-pyrazole 
CHEMBL390066 
GPGKNEKFDGOXPO-UHFFFAOYSA-N 
4-Phenyl-1H-pyrazole # 
pyrazole-based inhibitor 5 
Literature

Title: (E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl-idene]cyclo-hexa-none.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Design, synthesis, and insecticidal activities of phthalamides containing a hydrazone substructure.

Journal: Journal of agricultural and food chemistry 20100609

Title: 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.

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: Identification of inhibitors of protein kinase B using fragment-based lead discovery.

Journal: Journal of medicinal chemistry 20070517

Title: Synthesis of 5-substituted 2-methylbenzimidazoles with anticancer activity.

Journal: Archiv der Pharmazie 20030301

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