N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H18F3N3O — CID 103006099

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCn1nccc1CCNCCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-17-10(4-7-16-17)3-6-15-5-2-8-18-9-11(12,13)14/h4,7,15H,2-3,5-6,8-9H2,1H3
InChIKeyMISJRUHRRXQKJJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.52
Rot. Bonds8

About N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103006099) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103006099
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCn1nccc1CCNCCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-17-10(4-7-16-17)3-6-15-5-2-8-18-9-11(12,13)14/h4,7,15H,2-3,5-6,8-9H2,1H3
InChIKeyMISJRUHRRXQKJJ-UHFFFAOYSA-N
XLogP1.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.52
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 N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103006099) is N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cn1nccc1CCNCCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is MISJRUHRRXQKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-17-10(4-7-16-17)3-6-15-5-2-8-18-9-11(12,13)14/h4,7,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103006099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).