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

C19H15N3O — CID 12726118

IUPAC3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)c1
InChIInChI=1S/C19H15N3O/c1-13-6-5-9-15(10-13)16-12-20-22-18(23)11-17(21-19(16)22)14-7-3-2-4-8-14/h2-12,20H,1H3
InChIKeyZDWFMVRAOOQYMH-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.67
Rot. Bonds2

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

3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 12726118) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID12726118
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)c1
InChIInChI=1S/C19H15N3O/c1-13-6-5-9-15(10-13)16-12-20-22-18(23)11-17(21-19(16)22)14-7-3-2-4-8-14/h2-12,20H,1H3
InChIKeyZDWFMVRAOOQYMH-UHFFFAOYSA-N
XLogP3.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 12726118) is 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cccc(-c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZDWFMVRAOOQYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-6-5-9-15(10-13)16-12-20-22-18(23)11-17(21-19(16)22)14-7-3-2-4-8-14/h2-12,20H,1H3.
What are the key properties of 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 301.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 12726118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).