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
    0.5795    2.3627   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    0.9899   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2984    0.6754   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4010   -0.6860    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1508   -1.1424    0.1446 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7224   -0.1527    0.0502 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1295   -0.2957    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482   -1.4861    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6659   -1.4684    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455    2.9380    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    2.8077   -1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6441    2.3729   -0.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222    1.3868   -0.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7429    0.5792    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -2.3590    0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396   -1.5789    0.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1015   -1.3912    1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3835   -1.0230   -0.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291   -2.5291   -0.1470 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