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

C15H23N3O — CID 105025235

IUPACN-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1c(C)oc(C)c1C
InChIInChI=1S/C15H23N3O/c1-6-16-14(9-13-7-8-18(5)17-13)15-10(2)11(3)19-12(15)4/h7-8,14,16H,6,9H2,1-5H3
InChIKeyQDLGOULIIWSWPK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.83
Rot. Bonds5

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

N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 105025235) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID105025235
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1c(C)oc(C)c1C
InChIInChI=1S/C15H23N3O/c1-6-16-14(9-13-7-8-18(5)17-13)15-10(2)11(3)19-12(15)4/h7-8,14,16H,6,9H2,1-5H3
InChIKeyQDLGOULIIWSWPK-UHFFFAOYSA-N
XLogP2.83
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878243
N-ethyl-2-(5-methyl-2-pyridinyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 66447725
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105175044
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
N-ethyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876707
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 82877213
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine
CID 82876819
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877569
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 105025235) is N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1c(C)oc(C)c1C.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is QDLGOULIIWSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-6-16-14(9-13-7-8-18(5)17-13)15-10(2)11(3)19-12(15)4/h7-8,14,16H,6,9H2,1-5H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 105025235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).