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
   -1.2517    2.0984   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310    0.9396   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0496    0.9863   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648   -0.2720   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895   -1.0540    0.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263   -0.3378    0.1067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332   -0.8561    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514   -2.1303    0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0016   -0.6731   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4198    2.6581    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7591    2.7699   -1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2105    1.7945   -0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362    1.8752   -0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8020   -0.2183    0.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1300   -2.5298    0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2765   -2.7815    0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932   -0.0136    0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0948   -1.6972    0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617   -0.5582   -1.0365 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