2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine

C18H20N4O — CID 56780251

IUPAC2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine
SMILESCc1cnn(CCNCc2ccccc2Oc2cccnc2)c1
InChIInChI=1S/C18H20N4O/c1-15-11-21-22(14-15)10-9-20-12-16-5-2-3-7-18(16)23-17-6-4-8-19-13-17/h2-8,11,13-14,20H,9-10,12H2,1H3
InChIKeyVIAHNGANNWUTEJ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine

2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine (PubChem CID 56780251) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine
PubChem CID56780251
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine
SMILESCc1cnn(CCNCc2ccccc2Oc2cccnc2)c1
InChIInChI=1S/C18H20N4O/c1-15-11-21-22(14-15)10-9-20-12-16-5-2-3-7-18(16)23-17-6-4-8-19-13-17/h2-8,11,13-14,20H,9-10,12H2,1H3
InChIKeyVIAHNGANNWUTEJ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine (CID 56780251) is 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine is Cc1cnn(CCNCc2ccccc2Oc2cccnc2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine?
The InChIKey is VIAHNGANNWUTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-15-11-21-22(14-15)10-9-20-12-16-5-2-3-7-18(16)23-17-6-4-8-19-13-17/h2-8,11,13-14,20H,9-10,12H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine?
2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine has a molecular weight of 308.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 56780251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).