1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine

C17H24N4 — CID 63595893

IUPAC1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H24N4/c1-14(18)15-7-10-20(11-8-15)13-16-9-12-21(19-16)17-5-3-2-4-6-17/h2-6,9,12,14-15H,7-8,10-11,13,18H2,1H3
InChIKeyFNACBGLCWLSZDX-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.43
Rot. Bonds4

About 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine

1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 63595893) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID63595893
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H24N4/c1-14(18)15-7-10-20(11-8-15)13-16-9-12-21(19-16)17-5-3-2-4-6-17/h2-6,9,12,14-15H,7-8,10-11,13,18H2,1H3
InChIKeyFNACBGLCWLSZDX-UHFFFAOYSA-N
XLogP2.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine (CID 63595893) is 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is FNACBGLCWLSZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(18)15-7-10-20(11-8-15)13-16-9-12-21(19-16)17-5-3-2-4-6-17/h2-6,9,12,14-15H,7-8,10-11,13,18H2,1H3.
What are the key properties of 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63595893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).