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
   -0.7553    2.3094   -0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0871    0.9945   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    0.8157   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708   -0.5283    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636   -1.0889    0.0427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067   -0.2030   -0.1093 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0902   -0.4925   -0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5307   -1.7234   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7834   -1.2454    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7415    2.3469    0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446    2.5891   -1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1402    3.1164    0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354    1.5799   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896    0.3095   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380   -2.5368    0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840   -1.9455   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6060   -0.5110    0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7402   -1.8010    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9323   -1.9855   -0.5778 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