2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine

C11H18F3N3 — CID 82700513

IUPAC2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CC(F)(F)F)c(CC)c1CCN
InChIInChI=1S/C11H18F3N3/c1-3-9-8(5-6-15)10(4-2)17(16-9)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyGAQMEPCUWCJSDK-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.07
Rot. Bonds5

About 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine

2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine (PubChem CID 82700513) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
PubChem CID82700513
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CC(F)(F)F)c(CC)c1CCN
InChIInChI=1S/C11H18F3N3/c1-3-9-8(5-6-15)10(4-2)17(16-9)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyGAQMEPCUWCJSDK-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine (CID 82700513) is 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine is CCc1nn(CC(F)(F)F)c(CC)c1CCN.
What is the InChIKey of 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine?
The InChIKey is GAQMEPCUWCJSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-3-9-8(5-6-15)10(4-2)17(16-9)7-11(12,13)14/h3-7,15H2,1-2H3.
What are the key properties of 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine?
2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine has a molecular weight of 249.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82700513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).