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
   -1.0378   -2.1649   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1679   -0.9627   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046   -0.9161   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5418    0.3961   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047    1.0818    0.0915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6396    0.2820    0.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    0.6633    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3486    1.9154    0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    0.9425   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835   -3.0942    0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4658   -2.2849   -1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920   -2.1041    0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8951   -1.7304   -0.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7549   -0.1226    0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3824    2.1906    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5924    2.6818    0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    0.6593    0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.0348   -0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4883    0.5324   -1.0148 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