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
   -1.4118    1.3663   -0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3137    0.5660   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0049    0.9850   -0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7328   -0.0061    0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8603   -0.9640    0.7642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3696   -0.6404    0.3971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614   -1.5263    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6702   -1.4096    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1975   -0.0137    0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171    1.5497    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    2.3991   -0.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319    0.9782   -1.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    1.9397   -0.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3021   -2.4358    1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3994   -2.1639    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -0.5912   -0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7743   -0.1768   -0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208   -0.8121    1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4558    0.9561    1.1817 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