3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C19H22N4O2S — CID 159313024

IUPAC3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(N3CCCCC3)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C19H22N4O2S/c1-14-13-15(2)23-18(20-14)17(19(21-23)22-11-7-4-8-12-22)26(24,25)16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyLCUBNQRMWGUELK-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.17
Rot. Bonds3

About 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 159313024) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID159313024
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(N3CCCCC3)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C19H22N4O2S/c1-14-13-15(2)23-18(20-14)17(19(21-23)22-11-7-4-8-12-22)26(24,25)16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyLCUBNQRMWGUELK-UHFFFAOYSA-N
XLogP3.17
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 44516817
3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine
CID 52915984
2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine
CID 52915982
3-(benzenesulfonyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 71695174
4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol
CID 53325519
2-[3-(benzenesulfonyl)-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]oxyethanol
CID 21254974
3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
CID 56849579
[3-(benzenesulfonyl)-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]methanol
CID 53316984
3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 58357701
methyl 3-(benzenesulfonyl)-7-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 58357646
3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 52918031
2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 70002661

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 159313024) is 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(N3CCCCC3)c(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LCUBNQRMWGUELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-13-15(2)23-18(20-14)17(19(21-23)22-11-7-4-8-12-22)26(24,25)16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 370.48 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5,7-dimethyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 159313024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).