[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine

C13H16N4 — CID 166993892

IUPAC[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine
SMILESNCC1CC(n2cc(-c3ccccn3)cn2)C1
InChIInChI=1S/C13H16N4/c14-7-10-5-12(6-10)17-9-11(8-16-17)13-3-1-2-4-15-13/h1-4,8-10,12H,5-7,14H2
InChIKeyXPCVKUUMBVBWRA-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.85
Rot. Bonds3

About [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine

[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine (PubChem CID 166993892) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine
PubChem CID166993892
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine
SMILESNCC1CC(n2cc(-c3ccccn3)cn2)C1
InChIInChI=1S/C13H16N4/c14-7-10-5-12(6-10)17-9-11(8-16-17)13-3-1-2-4-15-13/h1-4,8-10,12H,5-7,14H2
InChIKeyXPCVKUUMBVBWRA-UHFFFAOYSA-N
XLogP1.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine?
The IUPAC name of [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine (CID 166993892) is [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine is NCC1CC(n2cc(-c3ccccn3)cn2)C1.
What is the InChIKey of [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine?
The InChIKey is XPCVKUUMBVBWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-7-10-5-12(6-10)17-9-11(8-16-17)13-3-1-2-4-15-13/h1-4,8-10,12H,5-7,14H2.
What are the key properties of [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine?
[3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyridin-2-ylpyrazol-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 166993892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).