6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H16N4O — CID 58030010

IUPAC6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cnc2cc([C@@H]3CCCCN3)[nH]n2c1=O
InChIInChI=1S/C12H16N4O/c1-8-7-14-11-6-10(15-16(11)12(8)17)9-4-2-3-5-13-9/h6-7,9,13,15H,2-5H2,1H3/t9-/m0/s1
InChIKeyUBKJREYLRAJAJH-VIFPVBQESA-N
MW232.29 g/mol
LogP1.15
Rot. Bonds1

About 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58030010) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58030010
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cnc2cc([C@@H]3CCCCN3)[nH]n2c1=O
InChIInChI=1S/C12H16N4O/c1-8-7-14-11-6-10(15-16(11)12(8)17)9-4-2-3-5-13-9/h6-7,9,13,15H,2-5H2,1H3/t9-/m0/s1
InChIKeyUBKJREYLRAJAJH-VIFPVBQESA-N
XLogP1.15
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 58030010) is 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cnc2cc([C@@H]3CCCCN3)[nH]n2c1=O.
What is the InChIKey of 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UBKJREYLRAJAJH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-7-14-11-6-10(15-16(11)12(8)17)9-4-2-3-5-13-9/h6-7,9,13,15H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 232.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).