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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Related Compounds

3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
CID 112585951
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 115940840
1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112586055
1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112585959
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64772112
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine
CID 130655519
2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 115940798
2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64770980
[3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105312810
2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772421
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844

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).