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
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
-1.2517 2.0984 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3310 0.9396 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0496 0.9863 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5648 -0.2720 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4895 -1.0540 0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6263 -0.3378 0.1067 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9332 -0.8561 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1514 -2.1303 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0016 -0.6731 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4198 2.6581 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7591 2.7699 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2105 1.7945 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6362 1.8752 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8020 -0.2183 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1300 -2.5298 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2765 -2.7815 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5932 -0.0136 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0948 -1.6972 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4617 -0.5582 -1.0365 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