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
   -1.3335    1.4098    0.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3021    0.5623    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0809    0.8304    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533   -0.1321   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043   -0.9665   -0.8137 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4229   -0.5534   -0.3905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -1.2755   -0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -1.1846   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274   -0.2182   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.0177    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1849    1.5356    0.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8382    2.4052    1.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5100    1.6772    0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174   -1.9831   -1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5826   -1.8035   -0.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200   -0.5828    0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   -1.2313   -0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4891   -0.0095   -1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.5023    0.0278 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