1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C11H17F4N3O — CID 103475437

IUPAC1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCn1nccc1C(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C11H17F4N3O/c1-3-18-9(4-5-17-18)8(16-2)6-19-7-11(14,15)10(12)13/h4-5,8,10,16H,3,6-7H2,1-2H3
InChIKeyJKDQPZUUVSZSTC-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.08
Rot. Bonds8

About 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475437) has the molecular formula C11H17F4N3O and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475437
Molecular FormulaC11H17F4N3O
Molecular Weight283.27 g/mol
Exact Mass283.13
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCn1nccc1C(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C11H17F4N3O/c1-3-18-9(4-5-17-18)8(16-2)6-19-7-11(14,15)10(12)13/h4-5,8,10,16H,3,6-7H2,1-2H3
InChIKeyJKDQPZUUVSZSTC-UHFFFAOYSA-N
XLogP2.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475437) is 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCn1nccc1C(COCC(F)(F)C(F)F)NC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is JKDQPZUUVSZSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N3O/c1-3-18-9(4-5-17-18)8(16-2)6-19-7-11(14,15)10(12)13/h4-5,8,10,16H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 283.27 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).