N-((4-Oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide - CAS 951987-97-6

Catalog:	BB058421
Product Name:	N-((4-Oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide
CAS:	951987-97-6
Synonyms:	N-[(4-hydroxy-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]acetamide; N-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]acetamide; N-((4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide

Technical Data

IUPAC Name:	N-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]acetamide
Description:	N-((4-Oxo-1-phenyl-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl)acetamide is a useful research intermediate for organic synthesis.
Molecular Weight:	283.29
Molecular Formula:	C14H13N5O2
Canonical SMILES:	CC(=O)NCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1
InChI:	InChI=1S/C14H13N5O2/c1-9(20)15-8-12-17-13-11(14(21)18-12)7-16-19(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,20)(H,17,18,21)
InChI Key:	AWNNSSWDXFMVNX-UHFFFAOYSA-N

Complexity:	458
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.10692467
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	283.10692467
Rotatable Bond Count:	3
Topological Polar Surface Area:	88.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3