N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide

C15H23N5O2S — CID 70710220

IUPACN-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1cc(N2CCC(NS(C)(=O)=O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H23N5O2S/c1-10-9-14(20-15(16-10)11(2)12(3)17-20)19-7-5-13(6-8-19)18-23(4,21)22/h9,13,18H,5-8H2,1-4H3
InChIKeyZTVMYXFBRCIJEB-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.17
Rot. Bonds3

About N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide

N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 70710220) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide
PubChem CID70710220
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1cc(N2CCC(NS(C)(=O)=O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H23N5O2S/c1-10-9-14(20-15(16-10)11(2)12(3)17-20)19-7-5-13(6-8-19)18-23(4,21)22/h9,13,18H,5-8H2,1-4H3
InChIKeyZTVMYXFBRCIJEB-UHFFFAOYSA-N
XLogP1.17
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide (CID 70710220) is N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide is Cc1cc(N2CCC(NS(C)(=O)=O)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is ZTVMYXFBRCIJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-10-9-14(20-15(16-10)11(2)12(3)17-20)19-7-5-13(6-8-19)18-23(4,21)22/h9,13,18H,5-8H2,1-4H3.
What are the key properties of N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 70710220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).