1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine

C11H19FN4 — CID 69281656

IUPAC1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
SMILESCCN1CCC(n2cc(N)c(C)n2)C(F)C1
InChIInChI=1S/C11H19FN4/c1-3-15-5-4-11(9(12)6-15)16-7-10(13)8(2)14-16/h7,9,11H,3-6,13H2,1-2H3
InChIKeyPVSSWFMYOAUCGX-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.38
Rot. Bonds2

About 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine

1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine (PubChem CID 69281656) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
PubChem CID69281656
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
SMILESCCN1CCC(n2cc(N)c(C)n2)C(F)C1
InChIInChI=1S/C11H19FN4/c1-3-15-5-4-11(9(12)6-15)16-7-10(13)8(2)14-16/h7,9,11H,3-6,13H2,1-2H3
InChIKeyPVSSWFMYOAUCGX-UHFFFAOYSA-N
XLogP1.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine?
The IUPAC name of 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine (CID 69281656) is 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine is CCN1CCC(n2cc(N)c(C)n2)C(F)C1.
What is the InChIKey of 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine?
The InChIKey is PVSSWFMYOAUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-3-15-5-4-11(9(12)6-15)16-7-10(13)8(2)14-16/h7,9,11H,3-6,13H2,1-2H3.
What are the key properties of 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine?
1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine has a molecular weight of 226.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 69281656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).