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
   -0.8528    1.9547   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.6718   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3055    0.6305   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084   -0.7051   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4915   -1.4279   -0.0818 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5727   -0.5682   -0.0952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065   -1.0347   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170   -0.3569    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928   -1.2488   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2272    2.2594    0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6779    1.9581   -0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557    2.7798   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355    1.4972    0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0736   -2.0504   -0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8493    0.6287    0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9235   -0.7876    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591   -0.5240    0.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2687   -1.4677   -1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958   -2.2087    0.5903 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