1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine

C9H15FN4 — CID 118280661

IUPAC1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine
SMILESCN1CCC(n2cc(N)cn2)C(F)C1
InChIInChI=1S/C9H15FN4/c1-13-3-2-9(8(10)6-13)14-5-7(11)4-12-14/h4-5,8-9H,2-3,6,11H2,1H3
InChIKeyFFMZZHPTWDFXRU-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.68
Rot. Bonds1

About 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine

1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 118280661) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine
PubChem CID118280661
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine
SMILESCN1CCC(n2cc(N)cn2)C(F)C1
InChIInChI=1S/C9H15FN4/c1-13-3-2-9(8(10)6-13)14-5-7(11)4-12-14/h4-5,8-9H,2-3,6,11H2,1H3
InChIKeyFFMZZHPTWDFXRU-UHFFFAOYSA-N
XLogP0.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine (CID 118280661) is 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine is CN1CCC(n2cc(N)cn2)C(F)C1.
What is the InChIKey of 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine?
The InChIKey is FFMZZHPTWDFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-13-3-2-9(8(10)6-13)14-5-7(11)4-12-14/h4-5,8-9H,2-3,6,11H2,1H3.
What are the key properties of 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine?
1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 198.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-methylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 118280661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).