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
   -0.9686   -1.6117   -1.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1403   -0.6161   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409   -0.6037   -0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6194    0.4510    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324    1.0570    0.8726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5459    0.4035    0.3932 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370    0.8949    0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8615    0.6596   -0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097    0.8884    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8401   -1.9796   -0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162   -2.5329   -1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700   -1.3131   -2.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   -1.3052   -0.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9944    1.4767    1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346    0.0939   -0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8602    1.0440    0.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0212    1.3674    1.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986    0.0134    0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    1.6124   -0.0318 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