2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H18N4O2 — CID 31162780

IUPAC2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCN3CCCCC3=O)cc(=O)n2[nH]1
InChIInChI=1S/C14H18N4O2/c1-10-8-12-15-11(9-14(20)18(12)16-10)5-7-17-6-3-2-4-13(17)19/h8-9,16H,2-7H2,1H3
InChIKeyZCSCLGASAAQYRE-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.89
Rot. Bonds3

About 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 31162780) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID31162780
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCN3CCCCC3=O)cc(=O)n2[nH]1
InChIInChI=1S/C14H18N4O2/c1-10-8-12-15-11(9-14(20)18(12)16-10)5-7-17-6-3-2-4-13(17)19/h8-9,16H,2-7H2,1H3
InChIKeyZCSCLGASAAQYRE-UHFFFAOYSA-N
XLogP0.89
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 31162780) is 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CCN3CCCCC3=O)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZCSCLGASAAQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-12-15-11(9-14(20)18(12)16-10)5-7-17-6-3-2-4-13(17)19/h8-9,16H,2-7H2,1H3.
What are the key properties of 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 274.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(2-oxopiperidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 31162780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).