N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine

C11H15N3O2 — CID 116793757

IUPACN-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine
SMILESCn1cc(OCCNCc2ccoc2)cn1
InChIInChI=1S/C11H15N3O2/c1-14-8-11(7-13-14)16-5-3-12-6-10-2-4-15-9-10/h2,4,7-9,12H,3,5-6H2,1H3
InChIKeyXEMKKDGYURAYKD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.18
Rot. Bonds6

About N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine

N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine (PubChem CID 116793757) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine
PubChem CID116793757
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine
SMILESCn1cc(OCCNCc2ccoc2)cn1
InChIInChI=1S/C11H15N3O2/c1-14-8-11(7-13-14)16-5-3-12-6-10-2-4-15-9-10/h2,4,7-9,12H,3,5-6H2,1H3
InChIKeyXEMKKDGYURAYKD-UHFFFAOYSA-N
XLogP1.18
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine (CID 116793757) is N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine is Cn1cc(OCCNCc2ccoc2)cn1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine?
The InChIKey is XEMKKDGYURAYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-8-11(7-13-14)16-5-3-12-6-10-2-4-15-9-10/h2,4,7-9,12H,3,5-6H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine?
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine has a molecular weight of 221.26 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-(1-methylpyrazol-4-yl)oxyethanamine is sourced from PubChem (CID 116793757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).