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

C9H13ClF3N3O — CID 103216277

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1ncc(Cl)c1C(N)COCC(F)(F)F
InChIInChI=1S/C9H13ClF3N3O/c1-2-16-8(6(10)3-15-16)7(14)4-17-5-9(11,12)13/h3,7H,2,4-5,14H2,1H3
InChIKeyLYGMAEYNLZUNJA-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.14
Rot. Bonds5

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

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216277) has the molecular formula C9H13ClF3N3O and a molecular weight of 271.67 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216277
Molecular FormulaC9H13ClF3N3O
Molecular Weight271.67 g/mol
Exact Mass271.07
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1ncc(Cl)c1C(N)COCC(F)(F)F
InChIInChI=1S/C9H13ClF3N3O/c1-2-16-8(6(10)3-15-16)7(14)4-17-5-9(11,12)13/h3,7H,2,4-5,14H2,1H3
InChIKeyLYGMAEYNLZUNJA-UHFFFAOYSA-N
XLogP2.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.14
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)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216277) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCn1ncc(Cl)c1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is LYGMAEYNLZUNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3N3O/c1-2-16-8(6(10)3-15-16)7(14)4-17-5-9(11,12)13/h3,7H,2,4-5,14H2,1H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 271.67 g/mol, XLogP of 2.14, 5 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)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).