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

C11H17F3N4O — CID 107109760

IUPAC1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CCOC(F)(F)F)CC2)n1
InChIInChI=1S/C11H17F3N4O/c12-11(13,14)19-8-7-17-4-1-9(2-5-17)18-6-3-10(15)16-18/h3,6,9H,1-2,4-5,7-8H2,(H2,15,16)
InChIKeyKBDZTZBYGGCBCX-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.64
Rot. Bonds4

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

1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine (PubChem CID 107109760) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine
PubChem CID107109760
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CCOC(F)(F)F)CC2)n1
InChIInChI=1S/C11H17F3N4O/c12-11(13,14)19-8-7-17-4-1-9(2-5-17)18-6-3-10(15)16-18/h3,6,9H,1-2,4-5,7-8H2,(H2,15,16)
InChIKeyKBDZTZBYGGCBCX-UHFFFAOYSA-N
XLogP1.64
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine (CID 107109760) is 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine is Nc1ccn(C2CCN(CCOC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine?
The InChIKey is KBDZTZBYGGCBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c12-11(13,14)19-8-7-17-4-1-9(2-5-17)18-6-3-10(15)16-18/h3,6,9H,1-2,4-5,7-8H2,(H2,15,16).
What are the key properties of 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine?
1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine has a molecular weight of 278.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107109760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).