3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine

C10H18FN3 — CID 84668986

IUPAC3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine
SMILESCC(C)(F)Cn1nccc1CCCN
InChIInChI=1S/C10H18FN3/c1-10(2,11)8-14-9(4-3-6-12)5-7-13-14/h5,7H,3-4,6,8,12H2,1-2H3
InChIKeyUQMLSADCGCUKBA-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.52
Rot. Bonds5

About 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine

3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine (PubChem CID 84668986) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine
PubChem CID84668986
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine
SMILESCC(C)(F)Cn1nccc1CCCN
InChIInChI=1S/C10H18FN3/c1-10(2,11)8-14-9(4-3-6-12)5-7-13-14/h5,7H,3-4,6,8,12H2,1-2H3
InChIKeyUQMLSADCGCUKBA-UHFFFAOYSA-N
XLogP1.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine?
The IUPAC name of 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine (CID 84668986) is 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine is CC(C)(F)Cn1nccc1CCCN.
What is the InChIKey of 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine?
The InChIKey is UQMLSADCGCUKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-10(2,11)8-14-9(4-3-6-12)5-7-13-14/h5,7H,3-4,6,8,12H2,1-2H3.
What are the key properties of 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine?
3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine is sourced from PubChem (CID 84668986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).