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
   -1.1259    2.1195    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1994    0.9588    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    0.9698    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663   -0.3352    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540   -1.0752   -0.0114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6271   -0.3106   -0.0737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779   -0.7371   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2553   -2.0148   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716   -0.8033    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0301    1.8513    0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6559    3.0508    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4819    2.2228   -1.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    1.8703    0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7584   -0.0180   -0.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4509   -2.7312   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2796   -2.3128   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813   -0.0962   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2526   -0.7696    1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575   -1.8394   -0.1425 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