2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H13N5O — CID 46973660

IUPAC2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3cnccn3)nc2c1-c1ccccc1
InChIInChI=1S/C17H13N5O/c1-11-16(12-5-3-2-4-6-12)17-20-13(9-15(23)22(17)21-11)14-10-18-7-8-19-14/h2-10,21H,1H3
InChIKeyDFBABZBOIQLXHX-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973660) has the molecular formula C17H13N5O and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973660
Molecular FormulaC17H13N5O
Molecular Weight303.32 g/mol
Exact Mass303.11
IUPAC Name2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3cnccn3)nc2c1-c1ccccc1
InChIInChI=1S/C17H13N5O/c1-11-16(12-5-3-2-4-6-12)17-20-13(9-15(23)22(17)21-11)14-10-18-7-8-19-14/h2-10,21H,1H3
InChIKeyDFBABZBOIQLXHX-UHFFFAOYSA-N
XLogP2.46
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973660) is 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3cnccn3)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DFBABZBOIQLXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-11-16(12-5-3-2-4-6-12)17-20-13(9-15(23)22(17)21-11)14-10-18-7-8-19-14/h2-10,21H,1H3.
What are the key properties of 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 303.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).