5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H10N4O — CID 86164563

IUPAC5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1
InChIInChI=1S/C12H10N4O/c1-8-6-12(17)16-11(14-8)7-10(15-16)9-2-4-13-5-3-9/h2-7,15H,1H3
InChIKeyVNLHOUTYNPHUDE-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.39
Rot. Bonds1

About 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 86164563) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID86164563
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1
InChIInChI=1S/C12H10N4O/c1-8-6-12(17)16-11(14-8)7-10(15-16)9-2-4-13-5-3-9/h2-7,15H,1H3
InChIKeyVNLHOUTYNPHUDE-UHFFFAOYSA-N
XLogP1.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 86164563) is 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1.
What is the InChIKey of 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VNLHOUTYNPHUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-6-12(17)16-11(14-8)7-10(15-16)9-2-4-13-5-3-9/h2-7,15H,1H3.
What are the key properties of 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 226.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 86164563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).