2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine

C18H20N4O — CID 10566755

IUPAC2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cccc(-n3cccn3)n2)cc1
InChIInChI=1S/C18H20N4O/c1-23-17-8-6-15(7-9-17)10-12-19-14-16-4-2-5-18(21-16)22-13-3-11-20-22/h2-9,11,13,19H,10,12,14H2,1H3
InChIKeyKAPWBDLNKJIWQN-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.61
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine

2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine (PubChem CID 10566755) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
PubChem CID10566755
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cccc(-n3cccn3)n2)cc1
InChIInChI=1S/C18H20N4O/c1-23-17-8-6-15(7-9-17)10-12-19-14-16-4-2-5-18(21-16)22-13-3-11-20-22/h2-9,11,13,19H,10,12,14H2,1H3
InChIKeyKAPWBDLNKJIWQN-UHFFFAOYSA-N
XLogP2.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.61
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 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine (CID 10566755) is 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine is COc1ccc(CCNCc2cccc(-n3cccn3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine?
The InChIKey is KAPWBDLNKJIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-17-8-6-15(7-9-17)10-12-19-14-16-4-2-5-18(21-16)22-13-3-11-20-22/h2-9,11,13,19H,10,12,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine has a molecular weight of 308.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 10566755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).