2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C12H9FN4O — CID 137175278

IUPAC2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2cn(-c3ccccc3F)nc2c(=O)[nH]1
InChIInChI=1S/C12H9FN4O/c1-7-14-9-6-17(16-11(9)12(18)15-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H,14,15,18)
InChIKeyVBMOGROKBWHCPL-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.56
Rot. Bonds1

About 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 137175278) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID137175278
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1nc2cn(-c3ccccc3F)nc2c(=O)[nH]1
InChIInChI=1S/C12H9FN4O/c1-7-14-9-6-17(16-11(9)12(18)15-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H,14,15,18)
InChIKeyVBMOGROKBWHCPL-UHFFFAOYSA-N
XLogP1.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 137175278) is 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is Cc1nc2cn(-c3ccccc3F)nc2c(=O)[nH]1.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is VBMOGROKBWHCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-7-14-9-6-17(16-11(9)12(18)15-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H,14,15,18).
What are the key properties of 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 244.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 137175278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).