N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine

C17H20N4O — CID 84593606

IUPACN-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1ccoc1)Cc1cn(C)nc1-c1ccncc1
InChIInChI=1S/C17H20N4O/c1-3-21(10-14-6-9-22-13-14)12-16-11-20(2)19-17(16)15-4-7-18-8-5-15/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyKOIRQGLEYLVTMZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.10
Rot. Bonds6

About N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine

N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 84593606) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID84593606
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1ccoc1)Cc1cn(C)nc1-c1ccncc1
InChIInChI=1S/C17H20N4O/c1-3-21(10-14-6-9-22-13-14)12-16-11-20(2)19-17(16)15-4-7-18-8-5-15/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyKOIRQGLEYLVTMZ-UHFFFAOYSA-N
XLogP3.10
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine (CID 84593606) is N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine is CCN(Cc1ccoc1)Cc1cn(C)nc1-c1ccncc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is KOIRQGLEYLVTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-21(10-14-6-9-22-13-14)12-16-11-20(2)19-17(16)15-4-7-18-8-5-15/h4-9,11,13H,3,10,12H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine?
N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 296.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 84593606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).