1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one

C11H16N4O — CID 163346905

IUPAC1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C11H16N4O/c1-3-4-5-6-15-8-12-10-9(11(15)16)7-13-14(10)2/h7-8H,3-6H2,1-2H3
InChIKeyHGCDFLIJDIXDLL-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.32
Rot. Bonds4

About 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 163346905) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID163346905
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C11H16N4O/c1-3-4-5-6-15-8-12-10-9(11(15)16)7-13-14(10)2/h7-8H,3-6H2,1-2H3
InChIKeyHGCDFLIJDIXDLL-UHFFFAOYSA-N
XLogP1.32
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55088277
5-[2-(butylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62565634
1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277018
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 43423148
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
N-methoxy-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47138210
5-hexyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 70010817
5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160477
5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63315808

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one (CID 163346905) is 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one is CCCCCn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HGCDFLIJDIXDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-4-5-6-15-8-12-10-9(11(15)16)7-13-14(10)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 163346905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).