(7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate

C10H14N4O4S — CID 154699770

IUPAC(7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate
SMILESCCCCc1cc(N)n2ncc(OS(=O)(=O)O)c2n1
InChIInChI=1S/C10H14N4O4S/c1-2-3-4-7-5-9(11)14-10(13-7)8(6-12-14)18-19(15,16)17/h5-6H,2-4,11H2,1H3,(H,15,16,17)
InChIKeyLQIGRWPKNKBXFP-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.84
Rot. Bonds5

About (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate

(7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate (PubChem CID 154699770) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate.

Molecular Properties

Compound Name(7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate
PubChem CID154699770
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name(7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate
SMILESCCCCc1cc(N)n2ncc(OS(=O)(=O)O)c2n1
InChIInChI=1S/C10H14N4O4S/c1-2-3-4-7-5-9(11)14-10(13-7)8(6-12-14)18-19(15,16)17/h5-6H,2-4,11H2,1H3,(H,15,16,17)
InChIKeyLQIGRWPKNKBXFP-UHFFFAOYSA-N
XLogP0.84
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate?
The IUPAC name of (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate (CID 154699770) is (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate.
What is the SMILES notation for (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate?
The canonical SMILES for (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate is CCCCc1cc(N)n2ncc(OS(=O)(=O)O)c2n1.
What is the InChIKey of (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate?
The InChIKey is LQIGRWPKNKBXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-2-3-4-7-5-9(11)14-10(13-7)8(6-12-14)18-19(15,16)17/h5-6H,2-4,11H2,1H3,(H,15,16,17).
What are the key properties of (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate?
(7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate has a molecular weight of 286.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate is sourced from PubChem (CID 154699770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).