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

C13H11N3O — CID 2818813

IUPAC2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C13H11N3O/c1-9-7-12-14-11(8-13(17)16(12)15-9)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKeyHHROHNILKCJWQG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.00
Rot. Bonds1

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

2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2818813) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2818813
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C13H11N3O/c1-9-7-12-14-11(8-13(17)16(12)15-9)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKeyHHROHNILKCJWQG-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 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2818813) is 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(-c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HHROHNILKCJWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-7-12-14-11(8-13(17)16(12)15-9)10-5-3-2-4-6-10/h2-8,15H,1H3.
What are the key properties of 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-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 2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2818813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).