2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C10H16F3N3O — CID 103001408

IUPAC2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCn1nccc1CCNCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-16-9(3-5-15-16)2-4-14-6-7-17-8-10(11,12)13/h3,5,14H,2,4,6-8H2,1H3
InChIKeyDXARWVKYYQCUOZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.13
Rot. Bonds7

About 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 103001408) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID103001408
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCn1nccc1CCNCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-16-9(3-5-15-16)2-4-14-6-7-17-8-10(11,12)13/h3,5,14H,2,4,6-8H2,1H3
InChIKeyDXARWVKYYQCUOZ-UHFFFAOYSA-N
XLogP1.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.13
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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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55031740
2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
CID 103006541
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 60733353
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 103001408) is 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is Cn1nccc1CCNCCOCC(F)(F)F.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is DXARWVKYYQCUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-16-9(3-5-15-16)2-4-14-6-7-17-8-10(11,12)13/h3,5,14H,2,4,6-8H2,1H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 103001408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).