3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine

C11H18F3N3O — CID 46735267

IUPAC3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine
SMILESCCCCn1nc(C(F)(F)F)cc1OCCCN
InChIInChI=1S/C11H18F3N3O/c1-2-3-6-17-10(18-7-4-5-15)8-9(16-17)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyPVUITXRJQBIFLI-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.43
Rot. Bonds7

About 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine

3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine (PubChem CID 46735267) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine
PubChem CID46735267
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine
SMILESCCCCn1nc(C(F)(F)F)cc1OCCCN
InChIInChI=1S/C11H18F3N3O/c1-2-3-6-17-10(18-7-4-5-15)8-9(16-17)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyPVUITXRJQBIFLI-UHFFFAOYSA-N
XLogP2.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine (CID 46735267) is 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine is CCCCn1nc(C(F)(F)F)cc1OCCCN.
What is the InChIKey of 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine?
The InChIKey is PVUITXRJQBIFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-3-6-17-10(18-7-4-5-15)8-9(16-17)11(12,13)14/h8H,2-7,15H2,1H3.
What are the key properties of 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine?
3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine is sourced from PubChem (CID 46735267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).