N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

C9H14F3N3O — CID 62564863

IUPACN-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCOCCNCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-16-7-4-13-3-6-15-5-2-8(14-15)9(10,11)12/h2,5,13H,3-4,6-7H2,1H3
InChIKeySBWSQALMOQHNBW-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.14
Rot. Bonds6

About N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 62564863) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID62564863
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESCOCCNCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-16-7-4-13-3-6-15-5-2-8(14-15)9(10,11)12/h2,5,13H,3-4,6-7H2,1H3
InChIKeySBWSQALMOQHNBW-UHFFFAOYSA-N
XLogP1.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.14
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-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (CID 62564863) is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is COCCNCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is SBWSQALMOQHNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-16-7-4-13-3-6-15-5-2-8(14-15)9(10,11)12/h2,5,13H,3-4,6-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 237.22 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 62564863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).