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

C11H18F3N3O — CID 103148496

IUPACN-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)c1ccn(C)n1
InChIInChI=1S/C11H18F3N3O/c1-3-15-9(10-4-6-17(2)16-10)5-7-18-8-11(12,13)14/h4,6,9,15H,3,5,7-8H2,1-2H3
InChIKeyBWHSRJIKTLRIRY-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.04
Rot. Bonds7

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

N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148496) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148496
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)c1ccn(C)n1
InChIInChI=1S/C11H18F3N3O/c1-3-15-9(10-4-6-17(2)16-10)5-7-18-8-11(12,13)14/h4,6,9,15H,3,5,7-8H2,1-2H3
InChIKeyBWHSRJIKTLRIRY-UHFFFAOYSA-N
XLogP2.04
TPSA39.08 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 ≤ 52.04
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-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148496) is N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCNC(CCOCC(F)(F)F)c1ccn(C)n1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is BWHSRJIKTLRIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-3-15-9(10-4-6-17(2)16-10)5-7-18-8-11(12,13)14/h4,6,9,15H,3,5,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).