1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine

C13H17FN4 — CID 114158466

IUPAC1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cn[nH]c1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN4/c1-3-12(13-5-4-11(14)8-15-13)18-9(2)10-6-16-17-7-10/h4-9,12,18H,3H2,1-2H3,(H,16,17)
InChIKeyHKCWHOHOUDLAGD-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.75
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 114158466) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
PubChem CID114158466
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cn[nH]c1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN4/c1-3-12(13-5-4-11(14)8-15-13)18-9(2)10-6-16-17-7-10/h4-9,12,18H,3H2,1-2H3,(H,16,17)
InChIKeyHKCWHOHOUDLAGD-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518
1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115938648
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103936838
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine (CID 114158466) is 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine is CCC(NC(C)c1cn[nH]c1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is HKCWHOHOUDLAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-3-12(13-5-4-11(14)8-15-13)18-9(2)10-6-16-17-7-10/h4-9,12,18H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 248.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114158466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).