CPI-455

CAT: 0607-BA4776-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4776-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1628208-23-0

Form

A solid

Molecular Formula

C16H14N4O

Molecular Weight

278.31

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS Number	1628208-23-0
PubChem CID	78426698
IUPAC Name	7-oxo-5-phenyl-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Molecular Formula	C16H14N4O
Molecular Weight	278.31
XLogP	2.3
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	611

SMILES

CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,18H,1-2H3

InChIKey

VGXRQCOVGLGFIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1628208-23-0

CID: 78426698

Formula: C16H14N4O

MW: 278.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.31
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	278.11676108
Monoisotopic Mass	278.11676108
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	611
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes