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
0.0993 -2.1013 1.2874 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2303 -0.9165 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1652 -0.6952 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9278 0.5116 -1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1442 1.0153 -0.5560 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 0.1839 0.3831 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6765 0.3711 1.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3765 1.4724 1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6790 1.1727 -2.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5866 -2.9533 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7322 -1.9339 2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9434 -2.3253 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9586 -1.3752 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9408 -0.3714 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1339 2.2293 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2154 1.6141 1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4390 0.4821 -2.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9795 1.5549 -3.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2085 2.0647 -1.8760 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