1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine

C14H21N3O — CID 75382469

IUPAC1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccco1)c1cnn(C(C)C)c1
InChIInChI=1S/C14H21N3O/c1-10(2)17-9-13(8-15-17)11(3)16-12(4)14-6-5-7-18-14/h5-12,16H,1-4H3
InChIKeyWLGXKFWNKMZMJQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.47
Rot. Bonds5

About 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine

1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 75382469) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
PubChem CID75382469
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccco1)c1cnn(C(C)C)c1
InChIInChI=1S/C14H21N3O/c1-10(2)17-9-13(8-15-17)11(3)16-12(4)14-6-5-7-18-14/h5-12,16H,1-4H3
InChIKeyWLGXKFWNKMZMJQ-UHFFFAOYSA-N
XLogP3.47
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine (CID 75382469) is 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine is CC(NC(C)c1ccco1)c1cnn(C(C)C)c1.
What is the InChIKey of 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is WLGXKFWNKMZMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)17-9-13(8-15-17)11(3)16-12(4)14-6-5-7-18-14/h5-12,16H,1-4H3.
What are the key properties of 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine?
1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 75382469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).