1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one

C18H20N4O — CID 166364494

IUPAC1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one
SMILESCC(NCc1ccc(=O)n(C)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H20N4O/c1-14(19-12-15-7-8-18(23)21(2)13-15)16-5-3-6-17(11-16)22-10-4-9-20-22/h3-11,13-14,19H,12H2,1-2H3
InChIKeyWGOSXXCBIXJPQW-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.42
Rot. Bonds5

About 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one

1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one (PubChem CID 166364494) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one
PubChem CID166364494
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one
SMILESCC(NCc1ccc(=O)n(C)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H20N4O/c1-14(19-12-15-7-8-18(23)21(2)13-15)16-5-3-6-17(11-16)22-10-4-9-20-22/h3-11,13-14,19H,12H2,1-2H3
InChIKeyWGOSXXCBIXJPQW-UHFFFAOYSA-N
XLogP2.42
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 75442926
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 97334226
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
CID 71985562
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95906003
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 124877320
2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
CID 112699473

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one (CID 166364494) is 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one is CC(NCc1ccc(=O)n(C)c1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one?
The InChIKey is WGOSXXCBIXJPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14(19-12-15-7-8-18(23)21(2)13-15)16-5-3-6-17(11-16)22-10-4-9-20-22/h3-11,13-14,19H,12H2,1-2H3.
What are the key properties of 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one?
1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one has a molecular weight of 308.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one is sourced from PubChem (CID 166364494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).