N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C13H20F3N3O — CID 64798983

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)10-20-8-6-17-9-11-5-7-19(18-11)12-3-1-2-4-12/h5,7,12,17H,1-4,6,8-10H2
InChIKeyGDCGSCXCWASMNZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.67
Rot. Bonds7

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 64798983) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID64798983
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)10-20-8-6-17-9-11-5-7-19(18-11)12-3-1-2-4-12/h5,7,12,17H,1-4,6,8-10H2
InChIKeyGDCGSCXCWASMNZ-UHFFFAOYSA-N
XLogP2.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.67
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-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 64798983) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GDCGSCXCWASMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c14-13(15,16)10-20-8-6-17-9-11-5-7-19(18-11)12-3-1-2-4-12/h5,7,12,17H,1-4,6,8-10H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 291.32 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 64798983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).