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

C15H13F2N3O — CID 66856695

IUPAC5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCc3cccc(F)c3F)cc(=O)n2[nH]1
InChIInChI=1S/C15H13F2N3O/c1-9-7-13-18-11(8-14(21)20(13)19-9)6-5-10-3-2-4-12(16)15(10)17/h2-4,7-8,19H,5-6H2,1H3
InChIKeyBHKAMLCIYUVYKV-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.39
Rot. Bonds3

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

5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 66856695) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID66856695
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCc3cccc(F)c3F)cc(=O)n2[nH]1
InChIInChI=1S/C15H13F2N3O/c1-9-7-13-18-11(8-14(21)20(13)19-9)6-5-10-3-2-4-12(16)15(10)17/h2-4,7-8,19H,5-6H2,1H3
InChIKeyBHKAMLCIYUVYKV-UHFFFAOYSA-N
XLogP2.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 66856695) is 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CCc3cccc(F)c3F)cc(=O)n2[nH]1.
What is the InChIKey of 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BHKAMLCIYUVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-9-7-13-18-11(8-14(21)20(13)19-9)6-5-10-3-2-4-12(16)15(10)17/h2-4,7-8,19H,5-6H2,1H3.
What are the key properties of 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 289.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66856695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).