2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

C15H21FN4 — CID 115940871

IUPAC2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCC(N)(Cc1ccn(C(C)C)n1)c1ccc(F)cn1
InChIInChI=1S/C15H21FN4/c1-4-15(17,14-6-5-12(16)10-18-14)9-13-7-8-20(19-13)11(2)3/h5-8,10-11H,4,9,17H2,1-3H3
InChIKeyUFTDMIWXYKEZLJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.80
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 115940871) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID115940871
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCC(N)(Cc1ccn(C(C)C)n1)c1ccc(F)cn1
InChIInChI=1S/C15H21FN4/c1-4-15(17,14-6-5-12(16)10-18-14)9-13-7-8-20(19-13)11(2)3/h5-8,10-11H,4,9,17H2,1-3H3
InChIKeyUFTDMIWXYKEZLJ-UHFFFAOYSA-N
XLogP2.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 115940871) is 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is CCC(N)(Cc1ccn(C(C)C)n1)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is UFTDMIWXYKEZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-4-15(17,14-6-5-12(16)10-18-14)9-13-7-8-20(19-13)11(2)3/h5-8,10-11H,4,9,17H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 276.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 115940871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).