1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine

C15H16N4O — CID 23395200

IUPAC1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine
SMILESCCCOc1nn(Cc2ccccc2)c2ncncc12
InChIInChI=1S/C15H16N4O/c1-2-8-20-15-13-9-16-11-17-14(13)19(18-15)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3
InChIKeyCFYGAFBKLSCDAW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.66
Rot. Bonds5

About 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine

1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine (PubChem CID 23395200) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine
PubChem CID23395200
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine
SMILESCCCOc1nn(Cc2ccccc2)c2ncncc12
InChIInChI=1S/C15H16N4O/c1-2-8-20-15-13-9-16-11-17-14(13)19(18-15)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3
InChIKeyCFYGAFBKLSCDAW-UHFFFAOYSA-N
XLogP2.66
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine (CID 23395200) is 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine is CCCOc1nn(Cc2ccccc2)c2ncncc12.
What is the InChIKey of 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine?
The InChIKey is CFYGAFBKLSCDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-8-20-15-13-9-16-11-17-14(13)19(18-15)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3.
What are the key properties of 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine?
1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine has a molecular weight of 268.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propoxypyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 23395200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).