Dynapyrazole-A

CAT: 0607-BA4570-25Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA4570-25Size:25 mg

Selected

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

Quick Request Actions

CAS Number

2226517-75-3

Form

A solid

Molecular Formula

C20H12ClIN4O

Molecular Weight

486.69

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Dynapyrazole A

CAS Number	2226517-75-3
PubChem CID	136213044
IUPAC Name	2-[1-(4-chlorophenyl)cyclopropyl]-7-iodo-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonitrile
Molecular Formula	C20H12ClIN4O
Molecular Weight	486.7
XLogP	4.4
Topological Polar Surface Area	70.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	668

SMILES

C1CC1(C2=CC=C(C=C2)Cl)C3=NN4C5=C(C=C(C=C5)I)C(=O)NC4=C3C#N

InChI

InChI=1S/C20H12ClIN4O/c21-12-3-1-11(2-4-12)20(7-8-20)17-15(10-23)18-24-19(27)14-9-13(22)5-6-16(14)26(18)25-17/h1-6,9H,7-8H2,(H,24,27)

InChIKey

VABPBCMFKJDOHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2226517-75-3

CID: 136213044

Formula: C20H12ClIN4O

MW: 486.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	486.7
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	485.97444
Monoisotopic Mass	485.97444
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	668
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

Catalog	Name
6896/5	Dynapyrazole A
HY-131873-01	Dynapyrazole-A