5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine

C11H18F3N3O — CID 114255514

IUPAC5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cc(OC)n(C)n1
InChIInChI=1S/C11H18F3N3O/c1-15-8(5-4-6-11(12,13)14)9-7-10(18-3)17(2)16-9/h7-8,15H,4-6H2,1-3H3
InChIKeyWCSZNLWHWFCSTA-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.42
Rot. Bonds6

About 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine

5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine (PubChem CID 114255514) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine
PubChem CID114255514
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1cc(OC)n(C)n1
InChIInChI=1S/C11H18F3N3O/c1-15-8(5-4-6-11(12,13)14)9-7-10(18-3)17(2)16-9/h7-8,15H,4-6H2,1-3H3
InChIKeyWCSZNLWHWFCSTA-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine (CID 114255514) is 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1cc(OC)n(C)n1.
What is the InChIKey of 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine?
The InChIKey is WCSZNLWHWFCSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-15-8(5-4-6-11(12,13)14)9-7-10(18-3)17(2)16-9/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine?
5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 114255514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).