2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine

C11H12FN3 — CID 82282985

IUPAC2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
SMILESNCCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C11H12FN3/c12-10-2-1-3-11(6-10)15-8-9(4-5-13)7-14-15/h1-3,6-8H,4-5,13H2
InChIKeyJVEKGXGWUCYPKQ-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.51
Rot. Bonds3

About 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine

2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine (PubChem CID 82282985) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
PubChem CID82282985
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
SMILESNCCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C11H12FN3/c12-10-2-1-3-11(6-10)15-8-9(4-5-13)7-14-15/h1-3,6-8H,4-5,13H2
InChIKeyJVEKGXGWUCYPKQ-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine (CID 82282985) is 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine is NCCc1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine?
The InChIKey is JVEKGXGWUCYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-2-1-3-11(6-10)15-8-9(4-5-13)7-14-15/h1-3,6-8H,4-5,13H2.
What are the key properties of 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine?
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine has a molecular weight of 205.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82282985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).