1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

C18H28N4O2 — CID 51104782

IUPAC1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNC(C)c1ccco1
InChIInChI=1S/C18H28N4O2/c1-13(2)17-15(12-19-14(3)16-6-5-9-24-16)18(21(4)20-17)22-7-10-23-11-8-22/h5-6,9,13-14,19H,7-8,10-12H2,1-4H3
InChIKeyNMGAVSRCWFBFNP-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.82
Rot. Bonds6

About 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 51104782) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID51104782
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNC(C)c1ccco1
InChIInChI=1S/C18H28N4O2/c1-13(2)17-15(12-19-14(3)16-6-5-9-24-16)18(21(4)20-17)22-7-10-23-11-8-22/h5-6,9,13-14,19H,7-8,10-12H2,1-4H3
InChIKeyNMGAVSRCWFBFNP-UHFFFAOYSA-N
XLogP2.82
TPSA55.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (CID 51104782) is 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is CC(C)c1nn(C)c(N2CCOCC2)c1CNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is NMGAVSRCWFBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)17-15(12-19-14(3)16-6-5-9-24-16)18(21(4)20-17)22-7-10-23-11-8-22/h5-6,9,13-14,19H,7-8,10-12H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 332.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 51104782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).