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
    0.8605    1.9368   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.6677   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2794    0.6257    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6273   -0.6966   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197   -1.3801   -0.2349 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5722   -0.5793   -0.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8848   -1.0501   -0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9762   -0.3669   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -1.2047   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981    2.0805   -0.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400    2.0167    0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240    2.8000    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9613    1.4435    0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037   -2.1189   -0.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0944    0.6779   -0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9733   -0.8568   -0.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299   -0.7718   -0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4490   -0.9261    0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0357   -2.2971   -0.1520 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