9-decyl-6-pyrazol-1-ylpurine

C18H26N6 — CID 118709433

IUPAC9-decyl-6-pyrazol-1-ylpurine
SMILESCCCCCCCCCCn1cnc2c(-n3cccn3)ncnc21
InChIInChI=1S/C18H26N6/c1-2-3-4-5-6-7-8-9-12-23-15-21-16-17(23)19-14-20-18(16)24-13-10-11-22-24/h10-11,13-15H,2-9,12H2,1H3
InChIKeyOBQLVKMBQWVWIK-UHFFFAOYSA-N
MW326.45 g/mol
LogP4.15
Rot. Bonds10

About 9-decyl-6-pyrazol-1-ylpurine

9-decyl-6-pyrazol-1-ylpurine (PubChem CID 118709433) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 9-decyl-6-pyrazol-1-ylpurine.

Molecular Properties

Compound Name9-decyl-6-pyrazol-1-ylpurine
PubChem CID118709433
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name9-decyl-6-pyrazol-1-ylpurine
SMILESCCCCCCCCCCn1cnc2c(-n3cccn3)ncnc21
InChIInChI=1S/C18H26N6/c1-2-3-4-5-6-7-8-9-12-23-15-21-16-17(23)19-14-20-18(16)24-13-10-11-22-24/h10-11,13-15H,2-9,12H2,1H3
InChIKeyOBQLVKMBQWVWIK-UHFFFAOYSA-N
XLogP4.15
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 9-decyl-6-pyrazol-1-ylpurine?
The IUPAC name of 9-decyl-6-pyrazol-1-ylpurine (CID 118709433) is 9-decyl-6-pyrazol-1-ylpurine.
What is the SMILES notation for 9-decyl-6-pyrazol-1-ylpurine?
The canonical SMILES for 9-decyl-6-pyrazol-1-ylpurine is CCCCCCCCCCn1cnc2c(-n3cccn3)ncnc21.
What is the InChIKey of 9-decyl-6-pyrazol-1-ylpurine?
The InChIKey is OBQLVKMBQWVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-2-3-4-5-6-7-8-9-12-23-15-21-16-17(23)19-14-20-18(16)24-13-10-11-22-24/h10-11,13-15H,2-9,12H2,1H3.
What are the key properties of 9-decyl-6-pyrazol-1-ylpurine?
9-decyl-6-pyrazol-1-ylpurine has a molecular weight of 326.45 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-decyl-6-pyrazol-1-ylpurine is sourced from PubChem (CID 118709433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).