N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine

C13H24FN3 — CID 82697029

IUPACN-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(CCCF)c1CC
InChIInChI=1S/C13H24FN3/c1-4-12-11(10-15-6-3)13(5-2)17(16-12)9-7-8-14/h15H,4-10H2,1-3H3
InChIKeyGTESVZASMVHBEZ-UHFFFAOYSA-N
MW241.35 g/mol
LogP2.48
Rot. Bonds8

About N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine

N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 82697029) has the molecular formula C13H24FN3 and a molecular weight of 241.35 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID82697029
Molecular FormulaC13H24FN3
Molecular Weight241.35 g/mol
Exact Mass241.20
IUPAC NameN-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(CCCF)c1CC
InChIInChI=1S/C13H24FN3/c1-4-12-11(10-15-6-3)13(5-2)17(16-12)9-7-8-14/h15H,4-10H2,1-3H3
InChIKeyGTESVZASMVHBEZ-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine (CID 82697029) is N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1c(CC)nn(CCCF)c1CC.
What is the InChIKey of N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is GTESVZASMVHBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3/c1-4-12-11(10-15-6-3)13(5-2)17(16-12)9-7-8-14/h15H,4-10H2,1-3H3.
What are the key properties of N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine?
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 241.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 82697029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).