Home Other Building Blocks 10199-67-4
10199-67-4,MFCD00462231
Catalog No.:AA000642
10199-67-4 | 1-Benzylpyrazole
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Purity
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1g
98%
in stock  
$99.00   $69.00
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5g
98%
in stock  
$269.00   $188.00
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10g
98%
in stock  
$508.00   $356.00
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25g
98%
in stock  
$1,016.00   $712.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000642
Chemical Name:
1-Benzylpyrazole
CAS Number:
10199-67-4
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD00462231
IUPAC Name:
1-benzylpyrazole
InChI:
InChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2
InChI Key:
AKQAJYLKBCWJBV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cccn1
Properties
Computed Properties
 
Complexity:
130  
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:
0
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
1-benzyl-1H-pyrazole 
10199-67-4 
DTXSID70393512 
AKQAJYLKBCWJBV-UHFFFAOYSA-N 
ZINC406387 
ANW-47839 
MFCD00462231 
STK006731 
AKOS003673887 
MCULE-5748179994 
RP22193 
AJ-22475 
1-benzylpyrazole 
AS-32922 
BC221770 
BR-45282 
ZB013657 
AB0034432 
DB-027362 
ST2403315 
TR-000475 
4CH-000658 
AM20020092 
1H-Pyrazole, 1-(phenylmethyl)- 
FT-0083472 
FT-0651448 
X8585 
S-3365 
J-504255 
I14-39456 
Z1230740631 
InChI=1/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H 
Pyrazole, 1-benzyl- 
C10H10N2 
1-BENZYL PYRAZOL 
CID3546441 
1H-Pyrazole,1-(phenylmethyl)- 
N-benzylpyrazole 
AC1MT83X 
SCHEMBL324202 
CTK4A0535 
Literature

Title: A second monoclinic polymorph of {bis-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action.

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

Title: {Bis[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action.

Journal: Acta crystallographica. Section E, Structure reports online 20100501

Title: Synthesis, nematicidal and antimicrobial properties of Bis-[4-methoxy-3-[3-(4-fluorophenyl)-6-(4-methylphenyl)-2(aryl)-tetrahydro-2H-pyrazolo[3,4-d]thiazol-5-yl]phenyl]methanes.

Journal: Chemical & pharmaceutical bulletin 20090701

Title: Phosphorescent iridium(III) complexes with nonconjugated cyclometalated ligands.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20080101

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