R-268712 50mg

CAT: 0628-A16207-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A16207-50Size:50 mg

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

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CAS Number

879487-87-3

Chemical Information

2-(4-(2-Fluoro-5-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-1-yl)ethan-1-ol

CAS Number	879487-87-3
PubChem CID	11703284
IUPAC Name	2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrazol-1-yl]ethanol
Molecular Formula	C20H18FN5O
Molecular Weight	363.4
XLogP	2.2
Topological Polar Surface Area	79.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	483

SMILES

CC1=NC(=CC=C1)C2=C(C=NN2)C3=CC(=C(C=C3)F)C4=CN(N=C4)CCO

InChI

InChI=1S/C20H18FN5O/c1-13-3-2-4-19(24-13)20-17(11-22-25-20)14-5-6-18(21)16(9-14)15-10-23-26(12-15)7-8-27/h2-6,9-12,27H,7-8H2,1H3,(H,22,25)

InChIKey

JQGOCCALXFSRHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 879487-87-3

CID: 11703284

Formula: C20H18FN5O

MW: 363.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	363.14953838
Monoisotopic Mass	363.14953838
Topological Polar Surface Area	79.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	483
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