4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine

C9H14F3N5 — CID 114992477

IUPAC4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N5/c10-9(11,12)6-16-1-3-17(4-2-16)7-5-14-15-8(7)13/h5H,1-4,6H2,(H3,13,14,15)
InChIKeyDAGAGYPLPUXUHY-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.68
Rot. Bonds2

About 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine

4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine (PubChem CID 114992477) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine
PubChem CID114992477
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N5/c10-9(11,12)6-16-1-3-17(4-2-16)7-5-14-15-8(7)13/h5H,1-4,6H2,(H3,13,14,15)
InChIKeyDAGAGYPLPUXUHY-UHFFFAOYSA-N
XLogP0.68
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine (CID 114992477) is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine is Nc1[nH]ncc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine?
The InChIKey is DAGAGYPLPUXUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c10-9(11,12)6-16-1-3-17(4-2-16)7-5-14-15-8(7)13/h5H,1-4,6H2,(H3,13,14,15).
What are the key properties of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine?
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine has a molecular weight of 249.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 114992477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).