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59843-75-3,MFCD00665963
Catalog No.:AA003I77
59843-75-3 | 5-p-Tolyl-1H-pyrazole
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1g
≥ 98% (HPLC)
in stock  
$155.00   $109.00
- +
5g
≥ 98% (HPLC)
in stock  
$586.00   $410.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003I77
Chemical Name:
5-p-Tolyl-1H-pyrazole
CAS Number:
59843-75-3
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD00665963
IUPAC Name:
5-(4-methylphenyl)-1H-pyrazole
InChI:
InChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChI Key:
VOMXXXBTALQTAK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc[nH]n1
Properties
Computed Properties
 
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
59843-75-3 
3-(p-Tolyl)-1H-pyrazole 
pyrazole analogue, 7 
3-(p-Tolyl)pyrazole 
AC1MBFZX 
AC1Q2KFL 
5-(p-tolyl)-1H-pyrazole 
SCHEMBL2765284 
SCHEMBL16168729 
BDBM17451 
CTK6B8045 
CTK8B1993 
3-(4-methylphenyl)-1H-pyrazole 
KS-00001OMB 
DTXSID70369333 
ACT07999 
ZINC4243617 
3-p-Tolyl-1H-pyrazole, AldrichCPR 
ANW-33368 
ANW-53033 
MFCD00665963 
SBB023349 
STK350511 
5-p-Tolyl-1H-pyrazole 
AKOS000313116 
AKOS000345349 
CD-0728 
MCULE-3384503079 
RP10176 
AJ-49580 
AN-39532 
DB-002524 
TR-020727 
FT-0680910 
3-p-Tolyl-1H-pyrazole 
ST50658225 
A-7706 
843M753 
A832500 
J-510943 
I14-27679 
3- PYRAZOLE 
ZINC04243617 
CID2725023 
2-methyl-3-(1,3,4-oxadiazol-2-yl)aniline 
5-(4-methylphenyl)-1H-pyrazole 
3-(4-Methylphenyl)pyrazole 
3-(4-Tolyl)Pyrazole 
p-Tolylpyrazol 
1H-Pyrazole, 3-(4-methylphenyl)- 
Literature
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