5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine

C9H15FN4 — CID 170326486

IUPAC5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
SMILESCN1CCC(c2[nH]ncc2N)C(F)C1
InChIInChI=1S/C9H15FN4/c1-14-3-2-6(7(10)5-14)9-8(11)4-12-13-9/h4,6-7H,2-3,5,11H2,1H3,(H,12,13)
InChIKeyIRGLGAWOUOKPBZ-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.75
Rot. Bonds1

About 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine

5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine (PubChem CID 170326486) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
PubChem CID170326486
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
SMILESCN1CCC(c2[nH]ncc2N)C(F)C1
InChIInChI=1S/C9H15FN4/c1-14-3-2-6(7(10)5-14)9-8(11)4-12-13-9/h4,6-7H,2-3,5,11H2,1H3,(H,12,13)
InChIKeyIRGLGAWOUOKPBZ-UHFFFAOYSA-N
XLogP0.75
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine (CID 170326486) is 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine is CN1CCC(c2[nH]ncc2N)C(F)C1.
What is the InChIKey of 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine?
The InChIKey is IRGLGAWOUOKPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-14-3-2-6(7(10)5-14)9-8(11)4-12-13-9/h4,6-7H,2-3,5,11H2,1H3,(H,12,13).
What are the key properties of 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine?
5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine has a molecular weight of 198.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-1-methylpiperidin-4-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 170326486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).