N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine

C12H17N3O — CID 82878243

IUPACN-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccoc1
InChIInChI=1S/C12H17N3O/c1-3-13-12(10-5-7-16-9-10)8-11-4-6-15(2)14-11/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyXCDMLJQYADKGPA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.91
Rot. Bonds5

About N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine

N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82878243) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82878243
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccoc1
InChIInChI=1S/C12H17N3O/c1-3-13-12(10-5-7-16-9-10)8-11-4-6-15(2)14-11/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyXCDMLJQYADKGPA-UHFFFAOYSA-N
XLogP1.91
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 64779215
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877569
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105175044
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105025235
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104802174
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105025325
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025701
1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 103216054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 82878243) is N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1ccoc1.
What is the InChIKey of N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is XCDMLJQYADKGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-13-12(10-5-7-16-9-10)8-11-4-6-15(2)14-11/h4-7,9,12-13H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82878243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).