2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one

C17H19N5O2 — CID 59280171

IUPAC2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCOCCNCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C17H19N5O2/c1-24-8-7-19-9-13-4-5-16(20-10-13)22-17(23)15(12-21-22)14-3-2-6-18-11-14/h2-6,10-12,19,21H,7-9H2,1H3
InChIKeyFSTZVIZVILWMNI-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.36
Rot. Bonds7

About 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one

2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 59280171) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID59280171
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCOCCNCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C17H19N5O2/c1-24-8-7-19-9-13-4-5-16(20-10-13)22-17(23)15(12-21-22)14-3-2-6-18-11-14/h2-6,10-12,19,21H,7-9H2,1H3
InChIKeyFSTZVIZVILWMNI-UHFFFAOYSA-N
XLogP1.36
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one (CID 59280171) is 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one is COCCNCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1.
What is the InChIKey of 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is FSTZVIZVILWMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-8-7-19-9-13-4-5-16(20-10-13)22-17(23)15(12-21-22)14-3-2-6-18-11-14/h2-6,10-12,19,21H,7-9H2,1H3.
What are the key properties of 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one?
2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 325.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59280171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).