2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

C17H19N5O2S — CID 70002661

IUPAC2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCNCC2)n2nc(S(=O)(=O)c3ccccc3)cc2n1
InChIInChI=1S/C17H19N5O2S/c1-13-11-17(21-9-7-18-8-10-21)22-15(19-13)12-16(20-22)25(23,24)14-5-3-2-4-6-14/h2-6,11-12,18H,7-10H2,1H3
InChIKeyAYAHWEGGUTYHRK-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.28
Rot. Bonds3

About 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 70002661) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID70002661
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCNCC2)n2nc(S(=O)(=O)c3ccccc3)cc2n1
InChIInChI=1S/C17H19N5O2S/c1-13-11-17(21-9-7-18-8-10-21)22-15(19-13)12-16(20-22)25(23,24)14-5-3-2-4-6-14/h2-6,11-12,18H,7-10H2,1H3
InChIKeyAYAHWEGGUTYHRK-UHFFFAOYSA-N
XLogP1.28
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (CID 70002661) is 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCNCC2)n2nc(S(=O)(=O)c3ccccc3)cc2n1.
What is the InChIKey of 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AYAHWEGGUTYHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-13-11-17(21-9-7-18-8-10-21)22-15(19-13)12-16(20-22)25(23,24)14-5-3-2-4-6-14/h2-6,11-12,18H,7-10H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 357.44 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70002661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).