N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C16H25N3O — CID 115822095

IUPACN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C16H25N3O/c1-6-17-15(8-14-9-18-19(7-2)10-14)16-11(3)12(4)20-13(16)5/h9-10,15,17H,6-8H2,1-5H3
InChIKeyGSIPAWAPDZYLGS-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 115822095) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID115822095
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C16H25N3O/c1-6-17-15(8-14-9-18-19(7-2)10-14)16-11(3)12(4)20-13(16)5/h9-10,15,17H,6-8H2,1-5H3
InChIKeyGSIPAWAPDZYLGS-UHFFFAOYSA-N
XLogP3.31
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030288
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105114831
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835
2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105412346
N-ethyl-2-(5-methyl-2-pyridinyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 66447725
2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152951
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105114758

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 115822095) is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is CCNC(Cc1cnn(CC)c1)c1c(C)oc(C)c1C.
What is the InChIKey of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is GSIPAWAPDZYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-17-15(8-14-9-18-19(7-2)10-14)16-11(3)12(4)20-13(16)5/h9-10,15,17H,6-8H2,1-5H3.
What are the key properties of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 275.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 115822095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).