7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

C13H11N3O — CID 721644

IUPAC7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(-c2ccccc2)nc2cc(=O)[nH]n12
InChIInChI=1S/C13H11N3O/c1-9-7-11(10-5-3-2-4-6-10)14-12-8-13(17)15-16(9)12/h2-8H,1H3,(H,15,17)
InChIKeyYHPLVWUWPHQOAW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.00
Rot. Bonds1

About 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 721644) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID721644
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(-c2ccccc2)nc2cc(=O)[nH]n12
InChIInChI=1S/C13H11N3O/c1-9-7-11(10-5-3-2-4-6-10)14-12-8-13(17)15-16(9)12/h2-8H,1H3,(H,15,17)
InChIKeyYHPLVWUWPHQOAW-UHFFFAOYSA-N
XLogP2.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 721644) is 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1cc(-c2ccccc2)nc2cc(=O)[nH]n12.
What is the InChIKey of 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is YHPLVWUWPHQOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-7-11(10-5-3-2-4-6-10)14-12-8-13(17)15-16(9)12/h2-8H,1H3,(H,15,17).
What are the key properties of 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 721644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).