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21683-61-4 | 1-phenyl-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS No: 21683-61-4 Catalog No: AG00IPK8 MDL No:MFCD00665192
Product Description
Catalog Number:
AG00IPK8
Chemical Name:
1-phenyl-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
21683-61-4
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
MDL Number:
MFCD00665192
IUPAC Name:
2-phenyl-5-pyridin-3-yl-4H-pyrazol-3-one
InChI:
InChI=1S/C14H11N3O/c18-14-9-13(11-5-4-8-15-10-11)16-17(14)12-6-2-1-3-7-12/h1-8,10H,9H2
InChI Key:
URELBAFVGJASQK-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1ccccc1)c1cccnc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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