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

C15H23N5O2S — CID 56720652

IUPACN-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cc(C)n2ncc(CN3CCC(NS(C)(=O)=O)CC3)c2n1
InChIInChI=1S/C15H23N5O2S/c1-11-8-12(2)20-15(17-11)13(9-16-20)10-19-6-4-14(5-7-19)18-23(3,21)22/h8-9,14,18H,4-7,10H2,1-3H3
InChIKeyRLIMHJCSXKCLPJ-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.86
Rot. Bonds4

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

N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 56720652) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID56720652
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cc(C)n2ncc(CN3CCC(NS(C)(=O)=O)CC3)c2n1
InChIInChI=1S/C15H23N5O2S/c1-11-8-12(2)20-15(17-11)13(9-16-20)10-19-6-4-14(5-7-19)18-23(3,21)22/h8-9,14,18H,4-7,10H2,1-3H3
InChIKeyRLIMHJCSXKCLPJ-UHFFFAOYSA-N
XLogP0.86
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide (CID 56720652) is N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide is Cc1cc(C)n2ncc(CN3CCC(NS(C)(=O)=O)CC3)c2n1.
What is the InChIKey of N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is RLIMHJCSXKCLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-11-8-12(2)20-15(17-11)13(9-16-20)10-19-6-4-14(5-7-19)18-23(3,21)22/h8-9,14,18H,4-7,10H2,1-3H3.
What are the key properties of N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 56720652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).