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Home Other Building Blocks 1H-Pyrazole, 3,5-dimethyl-4-(phenylmethyl)-

1H-Pyrazole, 3,5-dimethyl-4-(phenylmethyl)-

CAS No.:
23147-77-5
Catalog Number:
AG002MD6
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG002MD6
Chemical Name:
1H-Pyrazole, 3,5-dimethyl-4-(phenylmethyl)-
CAS Number:
23147-77-5
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD00462222
IUPAC Name:
4-benzyl-3,5-dimethyl-1H-pyrazole
InChI:
InChI=1S/C12H14N2/c1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,13,14)
InChI Key:
DYXNQVLCTOFNRG-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(c1Cc1ccccc1)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
4-Benzyl-3,5-dimethyl-1H-pyrazole. Acta crystallographica. Section E, Structure reports online 20111201
Properties