Monomers
1H-Pyrazole, 1-ethenyl-3-methyl-
Identifiers
IUPAC name
1-ethenyl-3-methylpyrazole
InchI
InChI=1S/C6H8N2/c1-3-8-5-4-6(2)7-8/h3-5H,1H2,2H3
InchI Key
HXPGEXSWCTYWSC-UHFFFAOYSA-N
SMILES
Cc1ccn(n1)C=C
Canonical SMILES
CC1=NN(C=C1)C=C
Isomeric SMILES
CC1=NN(C=C1)C=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
-2.9093 -0.5094 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4561 -0.1402 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8934 1.0127 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4911 0.9311 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7386 -0.2577 0.1722 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4242 -0.8884 0.3829 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0376 -0.7340 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1011 -0.0126 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2728 -0.4046 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9741 -1.5576 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4362 0.2033 -0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4562 1.8330 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2038 1.6862 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1432 -1.7083 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0342 0.9550 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0729 -0.4083 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
5 7 1 0
7 8 2 3
6 2 2 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
4 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers