N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C12H20F3N3O — CID 103215303

IUPACN-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1ccnn1CC
InChIInChI=1S/C12H20F3N3O/c1-3-6-16-10(8-19-9-12(13,14)15)11-5-7-17-18(11)4-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3
InChIKeyZOEVBDIBPPHODE-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.52
Rot. Bonds8

About N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103215303) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103215303
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1ccnn1CC
InChIInChI=1S/C12H20F3N3O/c1-3-6-16-10(8-19-9-12(13,14)15)11-5-7-17-18(11)4-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3
InChIKeyZOEVBDIBPPHODE-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-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103215303) is N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)c1ccnn1CC.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is ZOEVBDIBPPHODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-3-6-16-10(8-19-9-12(13,14)15)11-5-7-17-18(11)4-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine 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-[1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103215303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).