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
   -1.3089   -2.0745   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557   -0.9548   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0182   -1.0627   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728    0.1859    0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5249    1.0297    0.1661 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    0.3684    0.0187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9072    0.9445    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0609    2.2474    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.5348    0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942   -2.4591   -1.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3353   -1.7977   -0.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -2.9023    0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958   -1.9810   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7894    0.3369   -0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343    2.7163    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124    2.9096    0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    0.7024    1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560   -0.2229   -0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691    1.4791   -0.3543 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