1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C10H15ClF3N3O — CID 103216281

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1ncc(Cl)c1C(COCC(F)(F)F)NC
InChIInChI=1S/C10H15ClF3N3O/c1-3-17-9(7(11)4-16-17)8(15-2)5-18-6-10(12,13)14/h4,8,15H,3,5-6H2,1-2H3
InChIKeyPTKHLUXGBBCHQU-UHFFFAOYSA-N
MW285.70 g/mol
LogP2.40
Rot. Bonds6

About 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216281) has the molecular formula C10H15ClF3N3O and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216281
Molecular FormulaC10H15ClF3N3O
Molecular Weight285.70 g/mol
Exact Mass285.09
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1ncc(Cl)c1C(COCC(F)(F)F)NC
InChIInChI=1S/C10H15ClF3N3O/c1-3-17-9(7(11)4-16-17)8(15-2)5-18-6-10(12,13)14/h4,8,15H,3,5-6H2,1-2H3
InChIKeyPTKHLUXGBBCHQU-UHFFFAOYSA-N
XLogP2.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216281) is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCn1ncc(Cl)c1C(COCC(F)(F)F)NC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PTKHLUXGBBCHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3O/c1-3-17-9(7(11)4-16-17)8(15-2)5-18-6-10(12,13)14/h4,8,15H,3,5-6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 285.70 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).