1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine

C15H21FN4 — CID 115940840

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
SMILESCCc1cc(CC(N)(CC)c2ccc(F)cn2)n(C)n1
InChIInChI=1S/C15H21FN4/c1-4-12-8-13(20(3)19-12)9-15(17,5-2)14-7-6-11(16)10-18-14/h6-8,10H,4-5,9,17H2,1-3H3
InChIKeyRHFCOYKBRONCDX-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.32
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine (PubChem CID 115940840) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
PubChem CID115940840
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
SMILESCCc1cc(CC(N)(CC)c2ccc(F)cn2)n(C)n1
InChIInChI=1S/C15H21FN4/c1-4-12-8-13(20(3)19-12)9-15(17,5-2)14-7-6-11(16)10-18-14/h6-8,10H,4-5,9,17H2,1-3H3
InChIKeyRHFCOYKBRONCDX-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine (CID 115940840) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine is CCc1cc(CC(N)(CC)c2ccc(F)cn2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The InChIKey is RHFCOYKBRONCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-4-12-8-13(20(3)19-12)9-15(17,5-2)14-7-6-11(16)10-18-14/h6-8,10H,4-5,9,17H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine has a molecular weight of 276.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 115940840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).