1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine

C12H19F3N4O — CID 107109720

IUPAC1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CCOCC(F)(F)F)CC2)n1
InChIInChI=1S/C12H19F3N4O/c13-12(14,15)9-20-8-7-18-4-1-10(2-5-18)19-6-3-11(16)17-19/h3,6,10H,1-2,4-5,7-9H2,(H2,16,17)
InChIKeyWWHLASUIQDZTQG-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.68
Rot. Bonds5

About 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine (PubChem CID 107109720) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine
PubChem CID107109720
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CCOCC(F)(F)F)CC2)n1
InChIInChI=1S/C12H19F3N4O/c13-12(14,15)9-20-8-7-18-4-1-10(2-5-18)19-6-3-11(16)17-19/h3,6,10H,1-2,4-5,7-9H2,(H2,16,17)
InChIKeyWWHLASUIQDZTQG-UHFFFAOYSA-N
XLogP1.68
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine (CID 107109720) is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine is Nc1ccn(C2CCN(CCOCC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine?
The InChIKey is WWHLASUIQDZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c13-12(14,15)9-20-8-7-18-4-1-10(2-5-18)19-6-3-11(16)17-19/h3,6,10H,1-2,4-5,7-9H2,(H2,16,17).
What are the key properties of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine?
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine has a molecular weight of 292.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107109720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).