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
   -1.1007    2.1096   -0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2344    0.9285   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    0.9051   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302   -0.3778    0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4215   -1.0887    0.3205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265   -0.3388    0.1404 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9927   -0.7218    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2686   -1.9762    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525   -0.7850    0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964    2.7367    0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942    1.7417   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7059    2.6948   -1.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7757    1.7602   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8022   -0.0057    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3084   -2.2867    0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5065   -2.7002    0.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880   -1.8717    0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4885   -0.3316   -0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3475   -0.3924    1.2003 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