APX-115 free base 200mg

CAT: 0628-A22055-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A22055-200Size:200 mg

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

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CAS Number

1270084-92-8

Chemical Information

3-phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol

See also: Isuzinaxib (annotation moved to).

CAS Number	1270084-92-8
PubChem CID	51036475
IUPAC Name	5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
Molecular Formula	C17H17N3O
Molecular Weight	279.34
XLogP	3.7
Topological Polar Surface Area	45.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	412

SMILES

CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3

InChIKey

GIWZEELPLKPYBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1270084-92-8

CID: 51036475

Formula: C17H17N3O

MW: 279.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.34
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	279.137162174
Monoisotopic Mass	279.137162174
Topological Polar Surface Area	45.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	412
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