1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine

C11H18F3N5 — CID 63316318

IUPAC1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine
SMILESNc1ccn(CCN2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H18F3N5/c12-11(13,14)9-18-5-3-17(4-6-18)7-8-19-2-1-10(15)16-19/h1-2H,3-9H2,(H2,15,16)
InChIKeyQHRYKHZJMGCEPO-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.65
Rot. Bonds4

About 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine

1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine (PubChem CID 63316318) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine
PubChem CID63316318
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine
SMILESNc1ccn(CCN2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H18F3N5/c12-11(13,14)9-18-5-3-17(4-6-18)7-8-19-2-1-10(15)16-19/h1-2H,3-9H2,(H2,15,16)
InChIKeyQHRYKHZJMGCEPO-UHFFFAOYSA-N
XLogP0.65
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine (CID 63316318) is 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine is Nc1ccn(CCN2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine?
The InChIKey is QHRYKHZJMGCEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c12-11(13,14)9-18-5-3-17(4-6-18)7-8-19-2-1-10(15)16-19/h1-2H,3-9H2,(H2,15,16).
What are the key properties of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine?
1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine has a molecular weight of 277.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).