2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one

C17H20N4O — CID 141273239

IUPAC2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one
SMILESCCN1CC=CC=C1n1[nH]c(C)c(Cc2cccnc2)c1=O
InChIInChI=1S/C17H20N4O/c1-3-20-10-5-4-8-16(20)21-17(22)15(13(2)19-21)11-14-7-6-9-18-12-14/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyNQANWJQMSLTUGL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.16
Rot. Bonds4

About 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one

2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one (PubChem CID 141273239) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one
PubChem CID141273239
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one
SMILESCCN1CC=CC=C1n1[nH]c(C)c(Cc2cccnc2)c1=O
InChIInChI=1S/C17H20N4O/c1-3-20-10-5-4-8-16(20)21-17(22)15(13(2)19-21)11-14-7-6-9-18-12-14/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyNQANWJQMSLTUGL-UHFFFAOYSA-N
XLogP2.16
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one (CID 141273239) is 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one is CCN1CC=CC=C1n1[nH]c(C)c(Cc2cccnc2)c1=O.
What is the InChIKey of 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one?
The InChIKey is NQANWJQMSLTUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-20-10-5-4-8-16(20)21-17(22)15(13(2)19-21)11-14-7-6-9-18-12-14/h4-9,12,19H,3,10-11H2,1-2H3.
What are the key properties of 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one?
2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one has a molecular weight of 296.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2H-pyridin-6-yl)-5-methyl-4-(pyridin-3-ylmethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 141273239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).