Monomers

3,5-Dimethyl-1-vinylpyrazole

Identifiers

IUPAC name
1-ethenyl-3,5-dimethylpyrazole
InchI
InChI=1S/C7H10N2/c1-4-9-7(3)5-6(2)8-9/h4-5H,1H2,2-3H3
InchI Key
PWHCXMAJNAYEOR-UHFFFAOYSA-N
SMILES
Cc1cc(nn1C=C)C
Canonical SMILES
CC1=CC(=NN1C=C)C
Isomeric SMILES
CC1=CC(=NN1C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10N2
Heavy Atom Count
9
Molecular Weight
122.171
Exact Molecular Weight
122.0844
Valence Electrons
48
Radical Electrons
0
tPSA
17.82
MolLogP
1.6004
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.0993   -2.1013    1.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303   -0.9165    0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1652   -0.6952   -0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9278    0.5116   -1.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1442    1.0153   -0.5560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5753    0.1839    0.3831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    0.3711    1.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3765    1.4724    1.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790    1.1727   -2.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866   -2.9533    0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322   -1.9339    2.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9434   -2.3253    1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -1.3752   -0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408   -0.3714    1.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1339    2.2293    0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154    1.6141    1.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390    0.4821   -2.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9795    1.5549   -3.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2085    2.0647   -1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  4  9  1  0
  6  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers