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
   -1.5005   -1.8637    0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878   -0.9053    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791   -1.1798    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6144   -0.0108   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6512    0.9096   -0.2086 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529    0.3972   -0.0746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    1.0974   -0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8615    2.3760   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849    0.2778   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1961   -2.7141    1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754   -1.3341    0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8462   -2.2839   -0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543   -2.1290    0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7160    0.5276   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8037    2.8685   -0.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    2.9348   -0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2329    1.3254    0.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6122   -0.3836    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.0900   -1.1689 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