ZINC13466751

CAT: 0607-BA7816-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7816-25Size:25 mg

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

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CAS Number

117953-17-0

Form

A solid

Molecular Formula

C20H21N5O2

Molecular Weight

363.41

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

3-Methyl-4-[(4-morpholin-4-ylphenyl)diazenyl]-1-phenylpyrazol-5-ol

CAS Number	117953-17-0
PubChem CID	3120439
IUPAC Name	5-methyl-4-[(4-morpholin-4-ylphenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
Molecular Formula	C20H21N5O2
Molecular Weight	363.4
XLogP	3.6
Topological Polar Surface Area	69.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	585

SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H21N5O2/c1-15-19(20(26)25(23-15)18-5-3-2-4-6-18)22-21-16-7-9-17(10-8-16)24-11-13-27-14-12-24/h2-10,23H,11-14H2,1H3

InChIKey

BPLMVWHZMFTKIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117953-17-0

CID: 3120439

Formula: C20H21N5O2

MW: 363.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	363.16952493
Monoisotopic Mass	363.16952493
Topological Polar Surface Area	69.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	585
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