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

C19H15N3O — CID 2857627

IUPAC2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C19H15N3O/c1-13-6-5-9-15(10-13)17-11-18-20-16(12-19(23)22(18)21-17)14-7-3-2-4-8-14/h2-12,21H,1H3
InChIKeyMZOMASSGDPULJP-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.67
Rot. Bonds2

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

2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2857627) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2857627
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C19H15N3O/c1-13-6-5-9-15(10-13)17-11-18-20-16(12-19(23)22(18)21-17)14-7-3-2-4-8-14/h2-12,21H,1H3
InChIKeyMZOMASSGDPULJP-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 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2857627) is 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MZOMASSGDPULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-6-5-9-15(10-13)17-11-18-20-16(12-19(23)22(18)21-17)14-7-3-2-4-8-14/h2-12,21H,1H3.
What are the key properties of 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(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 2-(3-methylphenyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2857627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).