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ARN1468

CAT: 0013-GTR19187300-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187300-03Size:100 mg
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Description
ARN1468
CAS Number
1381459-14-8
Field of Research
Metabolism Research
Smiles
NC1=C (C=NN1C1=CC=C (OC (F) (F) F) C=C1) C (=O) C1CCNCC1
Molecular Formula
C16H17F3N4O2
Molecular Weight
354.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[5-Amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone
CAS Number1381459-14-8
PubChem CID92570374
IUPAC Name[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33
XLogP3
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity463
SMILES
C1CNCCC1C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)OC(F)(F)F)N
InChI
InChI=1S/C16H17F3N4O2/c17-16(18,19)25-12-3-1-11(2-4-12)23-15(20)13(9-22-23)14(24)10-5-7-21-8-6-10/h1-4,9-10,21H,5-8,20H2
InChIKey
OOUGXIZAHWLQEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [5-Amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone
CAS: 1381459-14-8
CID: 92570374
Formula: C16H17F3N4O2
MW: 354.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.33
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass354.13036028
Monoisotopic Mass354.13036028
Topological Polar Surface Area82.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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