3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C14H14ClN5 — CID 24866467

IUPAC3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyIOMXIVABWISZJT-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.31
Rot. Bonds2

About 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24866467) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24866467
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyIOMXIVABWISZJT-UHFFFAOYSA-N
XLogP3.31
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24866467) is 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.
What is the InChIKey of 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IOMXIVABWISZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 287.75 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24866467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).