7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine

C18H20N4O2S — CID 110091226

IUPAC7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1S(=O)(=O)N1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C18H20N4O2S/c1-14-4-2-3-5-17(14)25(23,24)21-12-8-15(9-13-21)16-6-10-19-18-7-11-20-22(16)18/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyVBEJYAZRUOHYED-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.61
Rot. Bonds3

About 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine

7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 110091226) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID110091226
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1S(=O)(=O)N1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C18H20N4O2S/c1-14-4-2-3-5-17(14)25(23,24)21-12-8-15(9-13-21)16-6-10-19-18-7-11-20-22(16)18/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyVBEJYAZRUOHYED-UHFFFAOYSA-N
XLogP2.61
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine (CID 110091226) is 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine is Cc1ccccc1S(=O)(=O)N1CCC(c2ccnc3ccnn23)CC1.
What is the InChIKey of 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is VBEJYAZRUOHYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14-4-2-3-5-17(14)25(23,24)21-12-8-15(9-13-21)16-6-10-19-18-7-11-20-22(16)18/h2-7,10-11,15H,8-9,12-13H2,1H3.
What are the key properties of 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 356.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110091226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).