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
   -1.4541    1.9219   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3892    0.8679   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581    1.1206   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6004   -0.0939    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -1.0147    0.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661   -0.4610   -0.0377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430   -1.1095   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203   -2.4155    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0596   -0.2314    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2029    2.6238   -1.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.5063    0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4309    1.4526   -0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4180    2.0911   -0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498   -0.5409   -0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8746   -2.8999    0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0327   -3.0032    0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236   -1.2009   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462    0.5796   -0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3967   -0.1929    1.2132 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