N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C12H20F3N3O — CID 103215290

IUPACN-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nccc1C(COCC(F)(F)F)NCC
InChIInChI=1S/C12H20F3N3O/c1-3-7-18-11(5-6-17-18)10(16-4-2)8-19-9-12(13,14)15/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyAARMLLGINNUTSO-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.52
Rot. Bonds8

About N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215290) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215290
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nccc1C(COCC(F)(F)F)NCC
InChIInChI=1S/C12H20F3N3O/c1-3-7-18-11(5-6-17-18)10(16-4-2)8-19-9-12(13,14)15/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyAARMLLGINNUTSO-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215290) is N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCCn1nccc1C(COCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is AARMLLGINNUTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-3-7-18-11(5-6-17-18)10(16-4-2)8-19-9-12(13,14)15/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).