4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one

C14H15N5O — CID 15698868

IUPAC4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
InChIInChI=1S/C14H15N5O/c1-2-8-18-12(15)11-9-16-19(13(11)17-14(18)20)10-6-4-3-5-7-10/h3-7,9H,2,8,15H2,1H3
InChIKeyPIEYJPNIGGGQDY-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.57
Rot. Bonds3

About 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one

4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698868) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698868
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one
SMILESCCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O
InChIInChI=1S/C14H15N5O/c1-2-8-18-12(15)11-9-16-19(13(11)17-14(18)20)10-6-4-3-5-7-10/h3-7,9H,2,8,15H2,1H3
InChIKeyPIEYJPNIGGGQDY-UHFFFAOYSA-N
XLogP1.57
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one (CID 15698868) is 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one is CCCn1c(N)c2cnn(-c3ccccc3)c2nc1=O.
What is the InChIKey of 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is PIEYJPNIGGGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-8-18-12(15)11-9-16-19(13(11)17-14(18)20)10-6-4-3-5-7-10/h3-7,9H,2,8,15H2,1H3.
What are the key properties of 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one?
4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 269.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phenyl-5-propylpyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).