2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one

C12H10N4O2 — CID 139215767

IUPAC2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1=NN(c2cc(=O)n3ccccc3n2)C(=O)C1
InChIInChI=1S/C12H10N4O2/c1-8-6-12(18)16(14-8)10-7-11(17)15-5-3-2-4-9(15)13-10/h2-5,7H,6H2,1H3
InChIKeyJJMZSOSWDFHRNH-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.81
Rot. Bonds1

About 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 139215767) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID139215767
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1=NN(c2cc(=O)n3ccccc3n2)C(=O)C1
InChIInChI=1S/C12H10N4O2/c1-8-6-12(18)16(14-8)10-7-11(17)15-5-3-2-4-9(15)13-10/h2-5,7H,6H2,1H3
InChIKeyJJMZSOSWDFHRNH-UHFFFAOYSA-N
XLogP0.81
TPSA67.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)butanamide
CID 15152293

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 139215767) is 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one is CC1=NN(c2cc(=O)n3ccccc3n2)C(=O)C1.
What is the InChIKey of 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JJMZSOSWDFHRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-8-6-12(18)16(14-8)10-7-11(17)15-5-3-2-4-9(15)13-10/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 242.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 139215767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).