1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine

C14H24F3N3O — CID 82699901

IUPAC1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCOCC(F)(F)F)c(CC)c1C(C)N
InChIInChI=1S/C14H24F3N3O/c1-4-11-13(10(3)18)12(5-2)20(19-11)7-6-8-21-9-14(15,16)17/h10H,4-9,18H2,1-3H3
InChIKeyFCUIBIRTDUAAJI-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.00
Rot. Bonds8

About 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine

1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine (PubChem CID 82699901) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine
PubChem CID82699901
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCOCC(F)(F)F)c(CC)c1C(C)N
InChIInChI=1S/C14H24F3N3O/c1-4-11-13(10(3)18)12(5-2)20(19-11)7-6-8-21-9-14(15,16)17/h10H,4-9,18H2,1-3H3
InChIKeyFCUIBIRTDUAAJI-UHFFFAOYSA-N
XLogP3.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.00
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 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine (CID 82699901) is 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine is CCc1nn(CCCOCC(F)(F)F)c(CC)c1C(C)N.
What is the InChIKey of 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine?
The InChIKey is FCUIBIRTDUAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-4-11-13(10(3)18)12(5-2)20(19-11)7-6-8-21-9-14(15,16)17/h10H,4-9,18H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine?
1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine has a molecular weight of 307.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82699901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).