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
   -1.5110    1.4011    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    0.5831    0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937    0.9939    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7572   -0.0115   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9200   -0.9596   -0.6074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -0.6313   -0.3321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4476   -1.5049   -0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122   -1.4845   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507    0.0390   -0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403    1.0646    1.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3609    1.3536   -0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1584    2.4775    0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    1.9398    0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612   -2.2713   -1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8610   -0.7745    0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3746   -2.2308   -0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015   -0.8619    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5840   -0.0316   -1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561    0.9091    0.1582 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