5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H24N4O2 — CID 130193018

IUPAC5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3CC(=O)c3ccccc3)[nH]n2c(=O)c1C
InChIInChI=1S/C21H24N4O2/c1-14-15(2)22-20-12-17(23-25(20)21(14)27)18-10-6-7-11-24(18)13-19(26)16-8-4-3-5-9-16/h3-5,8-9,12,18,23H,6-7,10-11,13H2,1-2H3
InChIKeySNFGAQVJBJMOKW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.05
Rot. Bonds4

About 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 130193018) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID130193018
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3CC(=O)c3ccccc3)[nH]n2c(=O)c1C
InChIInChI=1S/C21H24N4O2/c1-14-15(2)22-20-12-17(23-25(20)21(14)27)18-10-6-7-11-24(18)13-19(26)16-8-4-3-5-9-16/h3-5,8-9,12,18,23H,6-7,10-11,13H2,1-2H3
InChIKeySNFGAQVJBJMOKW-UHFFFAOYSA-N
XLogP3.05
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 130193018) is 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCCN3CC(=O)c3ccccc3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SNFGAQVJBJMOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-15(2)22-20-12-17(23-25(20)21(14)27)18-10-6-7-11-24(18)13-19(26)16-8-4-3-5-9-16/h3-5,8-9,12,18,23H,6-7,10-11,13H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 364.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130193018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).