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
   -1.4897   -1.8777    0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3983   -0.9022    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319   -1.1795   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5762    0.0227   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    0.9666   -0.1884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    0.4524    0.0565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089    1.1186    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749    2.4184    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396    0.2265   -0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -2.8717    0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1617   -1.9619   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057   -1.5579    1.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -2.1479   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7076    0.5579    0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    2.9873   -0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054    2.9262    0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033    0.6982    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    0.8788   -1.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5150   -0.7548   -0.6770 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