3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine

C9H16FN3 — CID 84732709

IUPAC3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine
SMILESCC(C)(F)c1ccnn1CCCN
InChIInChI=1S/C9H16FN3/c1-9(2,10)8-4-6-12-13(8)7-3-5-11/h4,6H,3,5,7,11H2,1-2H3
InChIKeyIEAJBRUOSXUUKH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.44
Rot. Bonds4

About 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine

3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine (PubChem CID 84732709) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine
PubChem CID84732709
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine
SMILESCC(C)(F)c1ccnn1CCCN
InChIInChI=1S/C9H16FN3/c1-9(2,10)8-4-6-12-13(8)7-3-5-11/h4,6H,3,5,7,11H2,1-2H3
InChIKeyIEAJBRUOSXUUKH-UHFFFAOYSA-N
XLogP1.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine (CID 84732709) is 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine is CC(C)(F)c1ccnn1CCCN.
What is the InChIKey of 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine?
The InChIKey is IEAJBRUOSXUUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-9(2,10)8-4-6-12-13(8)7-3-5-11/h4,6H,3,5,7,11H2,1-2H3.
What are the key properties of 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine?
3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine has a molecular weight of 185.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 84732709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).