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56342-52-0 | 3-Ethenyl-1H-pyrazole
CAS No: 56342-52-0 Catalog No: AG003AFW MDL No:MFCD22413954
Product Description
Catalog Number:
AG003AFW
Chemical Name:
3-Ethenyl-1H-pyrazole
CAS Number:
56342-52-0
Molecular Formula:
C5H6N2
Molecular Weight:
94.1145
MDL Number:
MFCD22413954
IUPAC Name:
5-ethenyl-1H-pyrazole
InChI:
InChI=1S/C5H6N2/c1-2-5-3-4-6-7-5/h2-4H,1H2,(H,6,7)
InChI Key:
YPIINMAYDTYYSQ-UHFFFAOYSA-N
SMILES:
C=Cc1cc[nH]n1
Properties
Complexity:
70.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
94.117g/mol
Monoisotopic Mass:
94.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Potent DNA gyrase inhibitors; novel 5-vinylpyrazole analogues with Gram-positive antibacterial activity. | Bioorganic & medicinal chemistry letters 20040607 |
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