2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one

C13H12N4O — CID 72708850

IUPAC2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)n(-c2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C13H12N4O/c1-9-7-10(2)17(15-9)12-8-13(18)16-6-4-3-5-11(16)14-12/h3-8H,1-2H3
InChIKeyIQBGHEUWLWAPHN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.50
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 72708850) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID72708850
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)n(-c2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C13H12N4O/c1-9-7-10(2)17(15-9)12-8-13(18)16-6-4-3-5-11(16)14-12/h3-8H,1-2H3
InChIKeyIQBGHEUWLWAPHN-UHFFFAOYSA-N
XLogP1.50
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 72708850) is 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(C)n(-c2cc(=O)n3ccccc3n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IQBGHEUWLWAPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-7-10(2)17(15-9)12-8-13(18)16-6-4-3-5-11(16)14-12/h3-8H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 240.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72708850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).