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115931-01-6 | Acetamide, N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-
CAS No: 115931-01-6 Catalog No: AG000H5B MDL No:
Product Description
Catalog Number:
AG000H5B
Chemical Name:
Acetamide, N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-
CAS Number:
115931-01-6
Molecular Formula:
C15H11N5O
Molecular Weight:
277.2807
IUPAC Name:
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
InChI:
InChI=1S/C15H11N5O/c1-10(21)19-13-4-2-3-11(7-13)14-5-6-17-15-12(8-16)9-18-20(14)15/h2-7,9H,1H3,(H,19,21)
InChI Key:
HGCZTXQJFDPOKK-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1nccc2c1cccc(c1)NC(=O)C
UNII:
C6S8C8MX0L
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.287g/mol
Monoisotopic Mass:
277.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Hydralazine as a selective probe inactivator of aldehyde oxidase in human hepatocytes: estimation of the contribution of aldehyde oxidase to metabolic clearance. | Drug metabolism and disposition: the biological fate of chemicals 20120701 |
| Impurity profile study of zaleplon. | Journal of pharmaceutical and biomedical analysis 20070509 |
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