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10199-64-1 | Ethanone, 1-(1H-pyrazol-1-yl)-
CAS No: 10199-64-1 Catalog No: AG00066W MDL No:
Product Description
Catalog Number:
AG00066W
Chemical Name:
Ethanone, 1-(1H-pyrazol-1-yl)-
CAS Number:
10199-64-1
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
IUPAC Name:
1-pyrazol-1-ylethanone
InChI:
InChI=1S/C5H6N2O/c1-5(8)7-4-2-3-6-7/h2-4H,1H3
InChI Key:
PGFTUYZICNEFJQ-UHFFFAOYSA-N
SMILES:
CC(=O)n1cccn1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| 1-[3,5-Bis(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone. | Acta crystallographica. Section E, Structure reports online 20100801 |
| 1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone. | Acta crystallographica. Section E, Structure reports online 20100301 |
| Synthesis, anticonvulsant activity and 3D-QSAR study of some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazole. | European journal of medicinal chemistry 20100101 |
| Selective inhibition of FAD and copper-dependent amine oxidases by N-acetyl pyrazole derivatives. | Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20010401 |
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