(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine

C17H19N3O — CID 51675926

IUPAC(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCc1ccc([C@H](C)NCc2ccc(-n3cccn3)cc2)o1
InChIInChI=1S/C17H19N3O/c1-13-4-9-17(21-13)14(2)18-12-15-5-7-16(8-6-15)20-11-3-10-19-20/h3-11,14,18H,12H2,1-2H3/t14-/m0/s1
InChIKeyJKZZIOOSGVUOSO-AWEZNQCLSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds5

About (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine

(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 51675926) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID51675926
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCc1ccc([C@H](C)NCc2ccc(-n3cccn3)cc2)o1
InChIInChI=1S/C17H19N3O/c1-13-4-9-17(21-13)14(2)18-12-15-5-7-16(8-6-15)20-11-3-10-19-20/h3-11,14,18H,12H2,1-2H3/t14-/m0/s1
InChIKeyJKZZIOOSGVUOSO-AWEZNQCLSA-N
XLogP3.62
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (CID 51675926) is (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is Cc1ccc([C@H](C)NCc2ccc(-n3cccn3)cc2)o1.
What is the InChIKey of (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is JKZZIOOSGVUOSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-4-9-17(21-13)14(2)18-12-15-5-7-16(8-6-15)20-11-3-10-19-20/h3-11,14,18H,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 51675926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).