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
1.9693 1.2473 0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6009 0.6930 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4861 -0.1660 -0.6631 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3833 -1.0415 -1.6772 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7653 -1.6919 -1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 -1.2343 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6378 -0.2614 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0386 0.5146 1.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8615 1.8895 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4367 1.0800 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2430 0.9247 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1613 -2.4652 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4381 -1.5133 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1616 0.4130 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5531 0.0328 2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7718 1.5787 1.1985 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