1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine

C10H15F3N4 — CID 118365664

IUPAC1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2
InChIKeyOSJRAPXOJNVWOK-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.66
Rot. Bonds2

About 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine (PubChem CID 118365664) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
PubChem CID118365664
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2
InChIKeyOSJRAPXOJNVWOK-UHFFFAOYSA-N
XLogP1.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine (CID 118365664) is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine is Nc1cnn(C2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
The InChIKey is OSJRAPXOJNVWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7,14H2.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine?
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine has a molecular weight of 248.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine is sourced from PubChem (CID 118365664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).