7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

C17H19N5O2S — CID 56883180

IUPAC7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)N1CCN(c2cc(-c3ccccc3)nc3ccnn23)CC1
InChIInChI=1S/C17H19N5O2S/c1-25(23,24)21-11-9-20(10-12-21)17-13-15(14-5-3-2-4-6-14)19-16-7-8-18-22(16)17/h2-8,13H,9-12H2,1H3
InChIKeyYFELBPVKXNKCDX-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.48
Rot. Bonds3

About 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 56883180) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID56883180
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)N1CCN(c2cc(-c3ccccc3)nc3ccnn23)CC1
InChIInChI=1S/C17H19N5O2S/c1-25(23,24)21-11-9-20(10-12-21)17-13-15(14-5-3-2-4-6-14)19-16-7-8-18-22(16)17/h2-8,13H,9-12H2,1H3
InChIKeyYFELBPVKXNKCDX-UHFFFAOYSA-N
XLogP1.48
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 70704851
5-ethyl-7-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 70723679
7-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 56902175
7-[(3R)-3-methoxypyrrolidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 95861445
1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol
CID 170782938
5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 56886372
(3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
CID 175519459
7-[4-(benzenesulfonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 110874095
2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092679
7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 648498
2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 2997171

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (CID 56883180) is 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is CS(=O)(=O)N1CCN(c2cc(-c3ccccc3)nc3ccnn23)CC1.
What is the InChIKey of 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YFELBPVKXNKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-25(23,24)21-11-9-20(10-12-21)17-13-15(14-5-3-2-4-6-14)19-16-7-8-18-22(16)17/h2-8,13H,9-12H2,1H3.
What are the key properties of 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 357.44 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56883180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).