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
   -1.1276    2.1614   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2548    0.9633   -0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    0.9220   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5570   -0.3693   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4469   -1.0920    0.1155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160   -0.3044    0.1289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -0.6983    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2291   -1.9706    0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9677   -0.8593   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572    1.8105   -0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1907    2.6970    0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350    2.8185   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7274    1.7996   -0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725    0.0318    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2488   -2.2630    0.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4342   -2.6962    0.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -1.9672   -0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713   -0.6080   -1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732   -0.3759    0.5348 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