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
-1.4719 -1.9616 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3996 -0.9109 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9412 -1.1656 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5897 0.0501 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6172 0.9771 0.1162 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5805 0.4173 0.1139 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8326 1.0870 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8498 2.4063 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0703 0.2878 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4292 -2.5331 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4711 -1.4862 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3039 -2.6935 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4568 -2.1325 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7618 0.5680 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 2.9631 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9333 2.9866 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2367 0.9474 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5617 -0.6804 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3322 0.8731 -0.6335 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