[2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine

C13H16FN3 — CID 79515347

IUPAC[2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine
SMILESCC(C)c1ccn(-c2cccc(F)c2CN)n1
InChIInChI=1S/C13H16FN3/c1-9(2)12-6-7-17(16-12)13-5-3-4-11(14)10(13)8-15/h3-7,9H,8,15H2,1-2H3
InChIKeyXCNHONSILXLZFU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.59
Rot. Bonds3

About [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine

[2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine (PubChem CID 79515347) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine
PubChem CID79515347
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name[2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine
SMILESCC(C)c1ccn(-c2cccc(F)c2CN)n1
InChIInChI=1S/C13H16FN3/c1-9(2)12-6-7-17(16-12)13-5-3-4-11(14)10(13)8-15/h3-7,9H,8,15H2,1-2H3
InChIKeyXCNHONSILXLZFU-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine (CID 79515347) is [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine is CC(C)c1ccn(-c2cccc(F)c2CN)n1.
What is the InChIKey of [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is XCNHONSILXLZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)12-6-7-17(16-12)13-5-3-4-11(14)10(13)8-15/h3-7,9H,8,15H2,1-2H3.
What are the key properties of [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine?
[2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(3-propan-2-ylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 79515347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).