1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine

C17H13N5 — CID 5327820

IUPAC1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C17H13N5/c18-16-14-15(12-7-3-1-4-8-12)21-22(17(14)20-11-19-16)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20)
InChIKeyCGWOMXNQGSNOHL-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.06
Rot. Bonds2

About 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine

1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 5327820) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID5327820
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C17H13N5/c18-16-14-15(12-7-3-1-4-8-12)21-22(17(14)20-11-19-16)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20)
InChIKeyCGWOMXNQGSNOHL-UHFFFAOYSA-N
XLogP3.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 5327820) is 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CGWOMXNQGSNOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c18-16-14-15(12-7-3-1-4-8-12)21-22(17(14)20-11-19-16)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20).
What are the key properties of 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine?
1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 287.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 5327820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).