1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C8H11ClF3N3O — CID 103216360

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCn1ncc(Cl)c1C(N)COCC(F)(F)F
InChIInChI=1S/C8H11ClF3N3O/c1-15-7(5(9)2-14-15)6(13)3-16-4-8(10,11)12/h2,6H,3-4,13H2,1H3
InChIKeyPZTDLPFDHDTYKT-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.65
Rot. Bonds4

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216360) has the molecular formula C8H11ClF3N3O and a molecular weight of 257.64 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216360
Molecular FormulaC8H11ClF3N3O
Molecular Weight257.64 g/mol
Exact Mass257.05
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCn1ncc(Cl)c1C(N)COCC(F)(F)F
InChIInChI=1S/C8H11ClF3N3O/c1-15-7(5(9)2-14-15)6(13)3-16-4-8(10,11)12/h2,6H,3-4,13H2,1H3
InChIKeyPZTDLPFDHDTYKT-UHFFFAOYSA-N
XLogP1.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.65
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-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216360) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is Cn1ncc(Cl)c1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PZTDLPFDHDTYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3O/c1-15-7(5(9)2-14-15)6(13)3-16-4-8(10,11)12/h2,6H,3-4,13H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 257.64 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).