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
   -1.1722   -2.0204   -0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2915   -0.8885   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845   -0.9458   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481    0.2937    0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4613    1.0560    0.5159 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6325    0.3623    0.2476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788    0.8654    0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255    2.1154    0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9915    0.5913    0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6807   -2.9714   -0.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938   -1.9202   -0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842   -2.0653   -1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -1.8382   -0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8233    0.2340    0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4128    2.8040    0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2122    2.5099    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5016    0.3278   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1794    1.6184    0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3561   -0.1284    1.3190 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