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
   -1.7051    1.7439    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    0.8546    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7532    1.3011   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545    0.1849   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443   -0.8618   -0.0866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5376   -0.4865    0.0590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6599   -1.3457    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920   -2.6293    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271    0.1007   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6178    1.2122   -0.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7848    2.1169    1.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5675    2.5899   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392    2.3213   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298   -0.9100    0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5140   -3.0455    0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3353   -3.2828    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515   -0.0766   -1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155    1.0029    0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3815   -0.7901    0.2507 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