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
   -1.1871   -2.1009   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523   -0.9647   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265   -0.9947   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5741    0.2721    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4858    0.9931    0.2483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6275    0.2789    0.0942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9432    0.7804    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011    2.0163    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575    0.7937    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451   -3.0137   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -2.2631   -1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818   -1.8782   -0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635   -1.8322   -0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608    0.0984    0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3889    2.6988    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2098    2.3526    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0763    1.5261   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1781    1.3123    1.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.0750    0.0132 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