RWJ 50271 5mg

CAT: 0628-A17208-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A17208-5Size:5 mg

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

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CAS Number

162112-37-0

Chemical Information

N-(3-Hydroxypropyl)-5-methyl-1-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)-1H-pyrazole-4-carboxamide

CAS Number	162112-37-0
PubChem CID	9953357
IUPAC Name	N-(3-hydroxypropyl)-5-methyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
Molecular Formula	C18H17F3N4O2S
Molecular Weight	410.4
XLogP	3.2
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	539

SMILES

CC1=C(C=NN1C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=O)NCCCO

InChI

InChI=1S/C18H17F3N4O2S/c1-11-14(16(27)22-6-3-7-26)9-23-25(11)17-24-15(10-28-17)12-4-2-5-13(8-12)18(19,20)21/h2,4-5,8-10,26H,3,6-7H2,1H3,(H,22,27)

InChIKey

HOFGTYCLOKDAES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162112-37-0

CID: 9953357

Formula: C18H17F3N4O2S

MW: 410.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	410.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	410.10243146
Monoisotopic Mass	410.10243146
Topological Polar Surface Area	108 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	539
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
GTR19157740-01	RWJ 50271
574868	RWJ-50271