2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine

C11H19FN4 — CID 146569374

IUPAC2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(CC2(F)CCN(C)CC2)n1
InChIInChI=1S/C11H19FN4/c1-9-7-10(13)16(14-9)8-11(12)3-5-15(2)6-4-11/h7H,3-6,8,13H2,1-2H3
InChIKeyUFRGIVGDNZIQGG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.21
Rot. Bonds2

About 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine

2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine (PubChem CID 146569374) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine
PubChem CID146569374
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(CC2(F)CCN(C)CC2)n1
InChIInChI=1S/C11H19FN4/c1-9-7-10(13)16(14-9)8-11(12)3-5-15(2)6-4-11/h7H,3-6,8,13H2,1-2H3
InChIKeyUFRGIVGDNZIQGG-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine (CID 146569374) is 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(CC2(F)CCN(C)CC2)n1.
What is the InChIKey of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is UFRGIVGDNZIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-9-7-10(13)16(14-9)8-11(12)3-5-15(2)6-4-11/h7H,3-6,8,13H2,1-2H3.
What are the key properties of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine?
2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 226.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 146569374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).