[3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine

C13H16FN3 — CID 114244098

IUPAC[3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine
SMILESCC(C)n1ncc(-c2cccc(CN)c2)c1F
InChIInChI=1S/C13H16FN3/c1-9(2)17-13(14)12(8-16-17)11-5-3-4-10(6-11)7-15/h3-6,8-9H,7,15H2,1-2H3
InChIKeyWMNKJYZYYHMUAB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.73
Rot. Bonds3

About [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine

[3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine (PubChem CID 114244098) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine
PubChem CID114244098
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name[3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine
SMILESCC(C)n1ncc(-c2cccc(CN)c2)c1F
InChIInChI=1S/C13H16FN3/c1-9(2)17-13(14)12(8-16-17)11-5-3-4-10(6-11)7-15/h3-6,8-9H,7,15H2,1-2H3
InChIKeyWMNKJYZYYHMUAB-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine (CID 114244098) is [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine is CC(C)n1ncc(-c2cccc(CN)c2)c1F.
What is the InChIKey of [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is WMNKJYZYYHMUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)17-13(14)12(8-16-17)11-5-3-4-10(6-11)7-15/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine?
[3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 114244098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).