5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine

C14H18FN5 — CID 118121617

IUPAC5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3ccc(CF)nc3)CC2)[nH]n1
InChIInChI=1S/C14H18FN5/c15-8-11-1-2-12(9-17-11)20-5-3-10(4-6-20)13-7-14(16)19-18-13/h1-2,7,9-10H,3-6,8H2,(H3,16,18,19)
InChIKeyYIXKICGIODGPTJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.24
Rot. Bonds3

About 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 118121617) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID118121617
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3ccc(CF)nc3)CC2)[nH]n1
InChIInChI=1S/C14H18FN5/c15-8-11-1-2-12(9-17-11)20-5-3-10(4-6-20)13-7-14(16)19-18-13/h1-2,7,9-10H,3-6,8H2,(H3,16,18,19)
InChIKeyYIXKICGIODGPTJ-UHFFFAOYSA-N
XLogP2.24
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine (CID 118121617) is 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine is Nc1cc(C2CCN(c3ccc(CF)nc3)CC2)[nH]n1.
What is the InChIKey of 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is YIXKICGIODGPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c15-8-11-1-2-12(9-17-11)20-5-3-10(4-6-20)13-7-14(16)19-18-13/h1-2,7,9-10H,3-6,8H2,(H3,16,18,19).
What are the key properties of 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 275.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118121617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).