N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine

C15H28FN3 — CID 107446754

IUPACN-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
SMILESCCC(CC)n1ccc(CC(F)CNC(C)(C)C)n1
InChIInChI=1S/C15H28FN3/c1-6-14(7-2)19-9-8-13(18-19)10-12(16)11-17-15(3,4)5/h8-9,12,14,17H,6-7,10-11H2,1-5H3
InChIKeyGXNQLXXIFLVNLU-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.51
Rot. Bonds7

About N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine (PubChem CID 107446754) has the molecular formula C15H28FN3 and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
PubChem CID107446754
Molecular FormulaC15H28FN3
Molecular Weight269.41 g/mol
Exact Mass269.23
IUPAC NameN-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
SMILESCCC(CC)n1ccc(CC(F)CNC(C)(C)C)n1
InChIInChI=1S/C15H28FN3/c1-6-14(7-2)19-9-8-13(18-19)10-12(16)11-17-15(3,4)5/h8-9,12,14,17H,6-7,10-11H2,1-5H3
InChIKeyGXNQLXXIFLVNLU-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine (CID 107446754) is N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine is CCC(CC)n1ccc(CC(F)CNC(C)(C)C)n1.
What is the InChIKey of N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is GXNQLXXIFLVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3/c1-6-14(7-2)19-9-8-13(18-19)10-12(16)11-17-15(3,4)5/h8-9,12,14,17H,6-7,10-11H2,1-5H3.
What are the key properties of N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).