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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Related Compounds

5-(4-Cyclohexylphenyl)-3-(3-(fluoromethyl)azetidine-1-carbonyl)-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 164852436
5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134347305
4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl-2,4-dihydro-pyrazol-3-one
CID 44395528
6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 132938296
6-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137646131
N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734329
6-benzyl-5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1242943
1-Methyl-3-phenyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 49830630
5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164624844
2-tert-butyl-3-(4-chlorophenyl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192987
5-hydroxy-6-oxo-N-(2-phenylethyl)-2-pyrazin-2-yl-1H-pyrimidine-4-carboxamide
CID 136254248
2-[4,5-Dimethyl-6-oxo-2-(pyrazin-2-YL)-1,6-dihydropyrimidin-1-YL]-N-(3-ethylphenyl)acetamide
CID 91887437

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).