2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine

C8H14FN3 — CID 84731907

IUPAC2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine
SMILESCC(C)(F)c1ccnn1CCN
InChIInChI=1S/C8H14FN3/c1-8(2,9)7-3-5-11-12(7)6-4-10/h3,5H,4,6,10H2,1-2H3
InChIKeyQJENEMYKQOMMIL-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.05
Rot. Bonds3

About 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine

2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine (PubChem CID 84731907) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine
PubChem CID84731907
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine
SMILESCC(C)(F)c1ccnn1CCN
InChIInChI=1S/C8H14FN3/c1-8(2,9)7-3-5-11-12(7)6-4-10/h3,5H,4,6,10H2,1-2H3
InChIKeyQJENEMYKQOMMIL-UHFFFAOYSA-N
XLogP1.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine (CID 84731907) is 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine is CC(C)(F)c1ccnn1CCN.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine?
The InChIKey is QJENEMYKQOMMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-8(2,9)7-3-5-11-12(7)6-4-10/h3,5H,4,6,10H2,1-2H3.
What are the key properties of 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine?
2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine has a molecular weight of 171.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 84731907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).