2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H15N3O2 — CID 2818874

IUPAC2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C19H15N3O2/c1-24-15-9-5-8-14(10-15)17-11-18-20-16(12-19(23)22(18)21-17)13-6-3-2-4-7-13/h2-12,21H,1H3
InChIKeyMADMLBUBMQBSTD-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.37
Rot. Bonds3

About 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2818874) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2818874
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C19H15N3O2/c1-24-15-9-5-8-14(10-15)17-11-18-20-16(12-19(23)22(18)21-17)13-6-3-2-4-7-13/h2-12,21H,1H3
InChIKeyMADMLBUBMQBSTD-UHFFFAOYSA-N
XLogP3.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2818874) is 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MADMLBUBMQBSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-15-9-5-8-14(10-15)17-11-18-20-16(12-19(23)22(18)21-17)13-6-3-2-4-7-13/h2-12,21H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 317.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2818874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).