N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide

C14H22N4O2S — CID 47071875

IUPACN-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCc1cc2nc(C)cc(C)n2n1
InChIInChI=1S/C14H22N4O2S/c1-4-8-21(19,20)15-7-5-6-13-10-14-16-11(2)9-12(3)18(14)17-13/h9-10,15H,4-8H2,1-3H3
InChIKeyXEEXAJFJEYTRJC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.61
Rot. Bonds7

About N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide

N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide (PubChem CID 47071875) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide
PubChem CID47071875
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCc1cc2nc(C)cc(C)n2n1
InChIInChI=1S/C14H22N4O2S/c1-4-8-21(19,20)15-7-5-6-13-10-14-16-11(2)9-12(3)18(14)17-13/h9-10,15H,4-8H2,1-3H3
InChIKeyXEEXAJFJEYTRJC-UHFFFAOYSA-N
XLogP1.61
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide (CID 47071875) is N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCCc1cc2nc(C)cc(C)n2n1.
What is the InChIKey of N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide?
The InChIKey is XEEXAJFJEYTRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-4-8-21(19,20)15-7-5-6-13-10-14-16-11(2)9-12(3)18(14)17-13/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide?
N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 47071875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).