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

C19H14FN3O — CID 164611815

IUPAC2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3cccc(F)c3)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H14FN3O/c1-12-10-16(24)23-19(21-12)17(13-6-3-2-4-7-13)18(22-23)14-8-5-9-15(20)11-14/h2-11,22H,1H3
InChIKeyPMTIIZTWQZAWCA-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.80
Rot. Bonds2

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

2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 164611815) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID164611815
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3cccc(F)c3)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H14FN3O/c1-12-10-16(24)23-19(21-12)17(13-6-3-2-4-7-13)18(22-23)14-8-5-9-15(20)11-14/h2-11,22H,1H3
InChIKeyPMTIIZTWQZAWCA-UHFFFAOYSA-N
XLogP3.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 164611815) is 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3cccc(F)c3)c(-c3ccccc3)c2n1.
What is the InChIKey of 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PMTIIZTWQZAWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-12-10-16(24)23-19(21-12)17(13-6-3-2-4-7-13)18(22-23)14-8-5-9-15(20)11-14/h2-11,22H,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 319.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 164611815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).