Monomers
1-Ethenyl-5-methyl-1h-pyrazole
Identifiers
IUPAC name
1-ethenyl-5-methylpyrazole
InchI
InChI=1S/C6H8N2/c1-3-8-6(2)4-5-7-8/h3-5H,1H2,2H3
InchI Key
VQSNZRKTZXIYLG-UHFFFAOYSA-N
SMILES
C=Cn1nccc1C
Canonical SMILES
CC1=CC=NN1C=C
Isomeric SMILES
CC1=CC=NN1C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8N2
Heavy Atom Count
8
Molecular Weight
108.144
Exact Molecular Weight
108.0687
Valence Electrons
42
Radical Electrons
0
tPSA
17.82
MolLogP
1.292
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
16 16 0 0 0 0 0 0 0 0999 V2000
2.1286 -0.8624 -0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5013 0.2424 -0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3025 0.6689 -0.3735 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1070 1.9482 -0.4278 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2584 2.1351 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6202 0.9027 0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6097 -0.0041 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6213 -1.4559 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7617 -1.5597 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0610 -1.0605 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9393 0.9168 -1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8456 3.0533 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4996 0.6224 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 -2.1138 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6756 -1.7072 0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0086 -1.7262 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
7 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
5 12 1 0
6 13 1 0
8 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers