1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C10H14N4O — CID 141223534

IUPAC1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCCn1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C10H14N4O/c1-2-3-4-5-14-9-8(6-13-14)10(15)12-7-11-9/h6-7H,2-5H2,1H3,(H,11,12,15)
InChIKeyFELLIJGRCKVGIR-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.31
Rot. Bonds4

About 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 141223534) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID141223534
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCCn1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C10H14N4O/c1-2-3-4-5-14-9-8(6-13-14)10(15)12-7-11-9/h6-7H,2-5H2,1H3,(H,11,12,15)
InChIKeyFELLIJGRCKVGIR-UHFFFAOYSA-N
XLogP1.31
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 141223534) is 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCCCn1ncc2c(=O)[nH]cnc21.
What is the InChIKey of 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FELLIJGRCKVGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-3-4-5-14-9-8(6-13-14)10(15)12-7-11-9/h6-7H,2-5H2,1H3,(H,11,12,15).
What are the key properties of 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 141223534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).