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10199-66-3 | Methanone, phenyl-1H-pyrazol-1-yl-
CAS No: 10199-66-3 Catalog No: AG00066V MDL No:
Product Description
Catalog Number:
AG00066V
Chemical Name:
Methanone, phenyl-1H-pyrazol-1-yl-
CAS Number:
10199-66-3
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
phenyl(pyrazol-1-yl)methanone
InChI:
InChI=1S/C10H8N2O/c13-10(12-8-4-7-11-12)9-5-2-1-3-6-9/h1-8H
InChI Key:
PQKSGWWAKCJGLT-UHFFFAOYSA-N
SMILES:
O=C(n1cccn1)c1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship analysis of N-benzoylpyrazoles for elastase inhibitory activity: a simplified approach using atom pair descriptors. | Bioorganic & medicinal chemistry 20080315 |
| N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase. | Journal of medicinal chemistry 20071004 |
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