3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one

C11H14N4O — CID 63196667

IUPAC3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one
SMILESCCC(C(C)=O)c1ncnc2c1cnn2C
InChIInChI=1S/C11H14N4O/c1-4-8(7(2)16)10-9-5-14-15(3)11(9)13-6-12-10/h5-6,8H,4H2,1-3H3
InChIKeyURUZITLNFHYEEZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.45
Rot. Bonds3

About 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one

3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one (PubChem CID 63196667) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one
PubChem CID63196667
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one
SMILESCCC(C(C)=O)c1ncnc2c1cnn2C
InChIInChI=1S/C11H14N4O/c1-4-8(7(2)16)10-9-5-14-15(3)11(9)13-6-12-10/h5-6,8H,4H2,1-3H3
InChIKeyURUZITLNFHYEEZ-UHFFFAOYSA-N
XLogP1.45
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one?
The IUPAC name of 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one (CID 63196667) is 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one.
What is the SMILES notation for 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one?
The canonical SMILES for 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one is CCC(C(C)=O)c1ncnc2c1cnn2C.
What is the InChIKey of 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one?
The InChIKey is URUZITLNFHYEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-4-8(7(2)16)10-9-5-14-15(3)11(9)13-6-12-10/h5-6,8H,4H2,1-3H3.
What are the key properties of 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one?
3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one is sourced from PubChem (CID 63196667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).