2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

C12H20F3N5 — CID 43362663

IUPAC2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESCn1cc(C(CN)N2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C12H20F3N5/c1-18-8-10(7-17-18)11(6-16)20-4-2-19(3-5-20)9-12(13,14)15/h7-8,11H,2-6,9,16H2,1H3
InChIKeyPAQGQTGXRXFKRX-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.60
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 43362663) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID43362663
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESCn1cc(C(CN)N2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C12H20F3N5/c1-18-8-10(7-17-18)11(6-16)20-4-2-19(3-5-20)9-12(13,14)15/h7-8,11H,2-6,9,16H2,1H3
InChIKeyPAQGQTGXRXFKRX-UHFFFAOYSA-N
XLogP0.60
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 43362663) is 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is Cn1cc(C(CN)N2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is PAQGQTGXRXFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-18-8-10(7-17-18)11(6-16)20-4-2-19(3-5-20)9-12(13,14)15/h7-8,11H,2-6,9,16H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 291.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 43362663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).