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
   -1.5010   -1.8233   -0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4467   -0.8582   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963   -1.1613   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5658   -0.0231    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279    0.9117    0.3225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5799    0.4380    0.0659 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    1.1646    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7889    2.4264    0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514    0.1297    0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961   -1.2874   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663   -2.6368   -1.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0087   -2.2288    0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.0989   -0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7385    0.6414   -0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    2.9121    0.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7002    2.9814    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5825    0.1998   -0.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2463    1.0553    0.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4416   -0.7424    0.9100 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