5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H16N6O2 — CID 110214767

IUPAC5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCN3C(=O)c3cnccn3)cc2n1
InChIInChI=1S/C16H16N6O2/c1-10-7-15(23)22-14(19-10)8-11(20-22)13-3-2-6-21(13)16(24)12-9-17-4-5-18-12/h4-5,7-9,13,20H,2-3,6H2,1H3
InChIKeyLYYXGROUICTZGI-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.10
Rot. Bonds2

About 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214767) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214767
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCN3C(=O)c3cnccn3)cc2n1
InChIInChI=1S/C16H16N6O2/c1-10-7-15(23)22-14(19-10)8-11(20-22)13-3-2-6-21(13)16(24)12-9-17-4-5-18-12/h4-5,7-9,13,20H,2-3,6H2,1H3
InChIKeyLYYXGROUICTZGI-UHFFFAOYSA-N
XLogP1.10
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215318
5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216039
5-methyl-2-[(2R)-1-(5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92553378
5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 98061913
5-ethyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214826
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214771
5,6-dimethyl-2-[1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214727
6-fluoro-5-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216142
2-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214796
6-ethyl-5-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216122
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95843599

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110214767) is 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCCN3C(=O)c3cnccn3)cc2n1.
What is the InChIKey of 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LYYXGROUICTZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-10-7-15(23)22-14(19-10)8-11(20-22)13-3-2-6-21(13)16(24)12-9-17-4-5-18-12/h4-5,7-9,13,20H,2-3,6H2,1H3.
What are the key properties of 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 324.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).