2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one

C12H16N4O — CID 113446755

IUPAC2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CC3CCNC3)ccn2n1
InChIInChI=1S/C12H16N4O/c1-9-6-11-12(17)15(4-5-16(11)14-9)8-10-2-3-13-7-10/h4-6,10,13H,2-3,7-8H2,1H3
InChIKeyXLYKPEDJZGSELL-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.41
Rot. Bonds2

About 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one

2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 113446755) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID113446755
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CC3CCNC3)ccn2n1
InChIInChI=1S/C12H16N4O/c1-9-6-11-12(17)15(4-5-16(11)14-9)8-10-2-3-13-7-10/h4-6,10,13H,2-3,7-8H2,1H3
InChIKeyXLYKPEDJZGSELL-UHFFFAOYSA-N
XLogP0.41
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 113446755) is 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CC3CCNC3)ccn2n1.
What is the InChIKey of 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XLYKPEDJZGSELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-6-11-12(17)15(4-5-16(11)14-9)8-10-2-3-13-7-10/h4-6,10,13H,2-3,7-8H2,1H3.
What are the key properties of 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 232.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 113446755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).