Name: Name:2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}propanedinitrile
Brand: AABLOCKS
SKU: AA00ITAF
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00ITAF

Chemical Name: 2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}propanedinitrile

CAS Number: 330567-93-6

Molecular Formula: C15H13N5O

Molecular Weight: 279.2966

MDL Number: MFCD00129414

SMILES: N#CC(=CNc1c(C)n(n(c1=O)c1ccccc1)C)C#N

NSC Number: 687617

Properties

Complexity: 576

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 21

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.1

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

330567-93-6 | 2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}propanedinitrile