2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine

C16H25N3O — CID 104805474

IUPAC2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1CC)c1occc1C
InChIInChI=1S/C16H25N3O/c1-5-13-10-14(19(7-3)18-13)11-15(17-6-2)16-12(4)8-9-20-16/h8-10,15,17H,5-7,11H2,1-4H3
InChIKeyXCWSUXPRUHGMNK-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.26
Rot. Bonds7

About 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine

2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 104805474) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
PubChem CID104805474
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1CC)c1occc1C
InChIInChI=1S/C16H25N3O/c1-5-13-10-14(19(7-3)18-13)11-15(17-6-2)16-12(4)8-9-20-16/h8-10,15,17H,5-7,11H2,1-4H3
InChIKeyXCWSUXPRUHGMNK-UHFFFAOYSA-N
XLogP3.26
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269270
2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105001588
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105001762
[2-(1,3-diethylpyrazol-5-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269153
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105001727
N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 106858001
N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
CID 61063846
2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550
[2-(1,3-diethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279906

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine (CID 104805474) is 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine is CCNC(Cc1cc(CC)nn1CC)c1occc1C.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is XCWSUXPRUHGMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-13-10-14(19(7-3)18-13)11-15(17-6-2)16-12(4)8-9-20-16/h8-10,15,17H,5-7,11H2,1-4H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine?
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 275.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 104805474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).