2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine

C13H16FN3 — CID 55018981

IUPAC2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine
SMILESCc1cc(C)n(C(CN)c2ccccc2F)n1
InChIInChI=1S/C13H16FN3/c1-9-7-10(2)17(16-9)13(8-15)11-5-3-4-6-12(11)14/h3-7,13H,8,15H2,1-2H3
InChIKeyHFJGDVPTJCXWIZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.19
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine

2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine (PubChem CID 55018981) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine
PubChem CID55018981
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine
SMILESCc1cc(C)n(C(CN)c2ccccc2F)n1
InChIInChI=1S/C13H16FN3/c1-9-7-10(2)17(16-9)13(8-15)11-5-3-4-6-12(11)14/h3-7,13H,8,15H2,1-2H3
InChIKeyHFJGDVPTJCXWIZ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine (CID 55018981) is 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine is Cc1cc(C)n(C(CN)c2ccccc2F)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is HFJGDVPTJCXWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-7-10(2)17(16-9)13(8-15)11-5-3-4-6-12(11)14/h3-7,13H,8,15H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine?
2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 55018981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).