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

C14H21N3O2 — CID 116803887

IUPAC1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
SMILESCC(NCCOc1cnn(C(C)C)c1)c1ccco1
InChIInChI=1S/C14H21N3O2/c1-11(2)17-10-13(9-16-17)18-8-6-15-12(3)14-5-4-7-19-14/h4-5,7,9-12,15H,6,8H2,1-3H3
InChIKeyXTLNZHSTOIOEAN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.79
Rot. Bonds7

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

1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine (PubChem CID 116803887) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
PubChem CID116803887
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
SMILESCC(NCCOc1cnn(C(C)C)c1)c1ccco1
InChIInChI=1S/C14H21N3O2/c1-11(2)17-10-13(9-16-17)18-8-6-15-12(3)14-5-4-7-19-14/h4-5,7,9-12,15H,6,8H2,1-3H3
InChIKeyXTLNZHSTOIOEAN-UHFFFAOYSA-N
XLogP2.79
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine
CID 63649726
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]ethoxy]benzoic acid
CID 103260045
2-bromo-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]aniline
CID 116803954
N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine
CID 116803900
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 81392882
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62571794

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine (CID 116803887) is 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine is CC(NCCOc1cnn(C(C)C)c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine?
The InChIKey is XTLNZHSTOIOEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)17-10-13(9-16-17)18-8-6-15-12(3)14-5-4-7-19-14/h4-5,7,9-12,15H,6,8H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine?
1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine is sourced from PubChem (CID 116803887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).