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
   -1.2482   -1.9675   -0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2998   -0.8698   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772   -0.9612   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    0.2387    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240    1.0158    0.3654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6231    0.3593    0.1104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350    0.8786    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1865    2.0890    0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304    0.5302    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001   -1.7824   -1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401   -2.0656    0.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919   -2.9173   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6527   -1.8317   -0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7649    0.2378    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140    2.8049    0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1983    2.4445    0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515   -0.2809    0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    1.4625    0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5294    0.6151   -0.7555 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